Home Cart Sign in  
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 375-85-9 Chemical Structure| 375-85-9

Structure of Perfluoroheptanoic acid
CAS No.: 375-85-9

Chemical Structure| 375-85-9

Perfluoroheptanoic acid

CAS No.: 375-85-9

4.5 *For Research Use Only !

Cat. No.: A545426 Purity: 98%

Change View

Size Price

US Stock

Global Stock

In Stock
100mg łÇǶÊÊ Inquiry Inquiry
250mg łÇď¶ÊÊ Inquiry Inquiry
1g łÿ˶ÊÊ Inquiry Inquiry
5g łÇóʶÊÊ Inquiry Inquiry
25g łÿîͶÊÊ Inquiry Inquiry

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 100mg

    łÇǶÊÊ

  • 250mg

    łÇď¶ÊÊ

  • 1g

    łÿ˶ÊÊ

  • 5g

    łÇóʶÊÊ

  • 25g

    łÿîͶÊÊ

In Stock

- +

US Stock: ship in 0-1 business day
Global Stock: ship in 2 weeks

  • 1-2 Day Shipping
  • High Quality
  • Technical Support
Product Citations

Alternative Products

Product Details of [ 375-85-9 ]

CAS No. :375-85-9
Formula : C7HF13O2
M.W : 364.06
SMILES Code : O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
MDL No. :MFCD00039604
InChI Key :ZWBAMYVPMDSJGQ-UHFFFAOYSA-N
Pubchem ID :67818

Safety of [ 375-85-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314-H360-H372
Precautionary Statements:P201-P202-P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:3265
Packing Group:

Computational Chemistry of [ 375-85-9 ] Show Less

Physicochemical Properties

Num. heavy atoms 22
Num. arom. heavy atoms 0
Fraction Csp3 0.86
Num. rotatable bonds 6
Num. H-bond acceptors 15.0
Num. H-bond donors 1.0
Molar Refractivity 38.43
TPSA ?

Topological Polar Surface Area: Calculated from
Ertl P. et al. 2000 J. Med. Chem.

37.3 Ų

Lipophilicity

Log Po/w (iLOGP)?

iLOGP: in-house physics-based method implemented from
Daina A et al. 2014 J. Chem. Inf. Model.

1.87
Log Po/w (XLOGP3)?

XLOGP3: Atomistic and knowledge-based method calculated by
XLOGP program, version 3.2.2, courtesy of CCBG, Shanghai Institute of Organic Chemistry

4.26
Log Po/w (WLOGP)?

WLOGP: Atomistic method implemented from
Wildman SA and Crippen GM. 1999 J. Chem. Inf. Model.

9.27
Log Po/w (MLOGP)?

MLOGP: Topological method implemented from
Moriguchi I. et al. 1992 Chem. Pharm. Bull.
Moriguchi I. et al. 1994 Chem. Pharm. Bull.
Lipinski PA. et al. 2001 Adv. Drug. Deliv. Rev.

3.56
Log Po/w (SILICOS-IT)?

SILICOS-IT: Hybrid fragmental/topological method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

4.41
Consensus Log Po/w?

Consensus Log Po/w: Average of all five predictions

4.67

Water Solubility

Log S (ESOL):?

ESOL: Topological method implemented from
Delaney JS. 2004 J. Chem. Inf. Model.

-4.38
Solubility 0.015 mg/ml ; 0.0000412 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble
Log S (Ali)?

Ali: Topological method implemented from
Ali J. et al. 2012 J. Chem. Inf. Model.

-4.76
Solubility 0.0064 mg/ml ; 0.0000176 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Moderately soluble
Log S (SILICOS-IT)?

SILICOS-IT: Fragmental method calculated by
FILTER-IT program, version 1.0.2, courtesy of SILICOS-IT, http://www.silicos-it.com

-3.13
Solubility 0.272 mg/ml ; 0.000746 mol/l
Class?

Solubility class: Log S scale
Insoluble < -10 < Poorly < -6 < Moderately < -4 < Soluble < -2 Very < 0 < Highly

Soluble

Pharmacokinetics

GI absorption?

Gatrointestinal absorption: according to the white of the BOILED-Egg

Low
BBB permeant?

BBB permeation: according to the yolk of the BOILED-Egg

No
P-gp substrate?

P-glycoprotein substrate: SVM model built on 1033 molecules (training set)
and tested on 415 molecules (test set)
10-fold CV: ACC=0.72 / AUC=0.77
External: ACC=0.88 / AUC=0.94

No
CYP1A2 inhibitor?

Cytochrome P450 1A2 inhibitor: SVM model built on 9145 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.83 / AUC=0.90
External: ACC=0.84 / AUC=0.91

No
CYP2C19 inhibitor?

Cytochrome P450 2C19 inhibitor: SVM model built on 9272 molecules (training set)
and tested on 3000 molecules (test set)
10-fold CV: ACC=0.80 / AUC=0.86
External: ACC=0.80 / AUC=0.87

Yes
CYP2C9 inhibitor?

Cytochrome P450 2C9 inhibitor: SVM model built on 5940 molecules (training set)
and tested on 2075 molecules (test set)
10-fold CV: ACC=0.78 / AUC=0.85
External: ACC=0.71 / AUC=0.81

Yes
CYP2D6 inhibitor?

Cytochrome P450 2D6 inhibitor: SVM model built on 3664 molecules (training set)
and tested on 1068 molecules (test set)
10-fold CV: ACC=0.79 / AUC=0.85
External: ACC=0.81 / AUC=0.87

No
CYP3A4 inhibitor?

Cytochrome P450 3A4 inhibitor: SVM model built on 7518 molecules (training set)
and tested on 2579 molecules (test set)
10-fold CV: ACC=0.77 / AUC=0.85
External: ACC=0.78 / AUC=0.86

No
Log Kp (skin permeation)?

Skin permeation: QSPR model implemented from
Potts RO and Guy RH. 1992 Pharm. Res.

-5.5 cm/s

Druglikeness

Lipinski?

Lipinski (Pfizer) filter: implemented from
Lipinski CA. et al. 2001 Adv. Drug Deliv. Rev.
MW ≤ 500
MLOGP ≤ 4.15
N or O ≤ 10
NH or OH ≤ 5

0.0
Ghose?

Ghose filter: implemented from
Ghose AK. et al. 1999 J. Comb. Chem.
160 ≤ MW ≤ 480
-0.4 ≤ WLOGP ≤ 5.6
40 ≤ MR ≤ 130
20 ≤ atoms ≤ 70

None
Veber?

Veber (GSK) filter: implemented from
Veber DF. et al. 2002 J. Med. Chem.
Rotatable bonds ≤ 10
TPSA ≤ 140

0.0
Egan?

Egan (Pharmacia) filter: implemented from
Egan WJ. et al. 2000 J. Med. Chem.
WLOGP ≤ 5.88
TPSA ≤ 131.6

1.0
Muegge?

Muegge (Bayer) filter: implemented from
Muegge I. et al. 2001 J. Med. Chem.
200 ≤ MW ≤ 600
-2 ≤ XLOGP ≤ 5
TPSA ≤ 150
Num. rings ≤ 7
Num. carbon > 4
Num. heteroatoms > 1
Num. rotatable bonds ≤ 15
H-bond acc. ≤ 10
H-bond don. ≤ 5

1.0
Bioavailability Score?

Abbott Bioavailability Score: Probability of F > 10% in rat
implemented from
Martin YC. 2005 J. Med. Chem.

0.56

Medicinal Chemistry

PAINS?

Pan Assay Interference Structures: implemented from
Baell JB. & Holloway GA. 2010 J. Med. Chem.

0.0 alert
Brenk?

Structural Alert: implemented from
Brenk R. et al. 2008 ChemMedChem

1.0 alert: heavy_metal
Leadlikeness?

Leadlikeness: implemented from
Teague SJ. 1999 Angew. Chem. Int. Ed.
250 ≤ MW ≤ 350
XLOGP ≤ 3.5
Num. rotatable bonds ≤ 7

No; 1 violation:MW<2.0
Synthetic accessibility?

Synthetic accessibility score: from 1 (very easy) to 10 (very difficult)
based on 1024 fragmental contributions (FP2) modulated by size and complexity penaties,
trained on 12'782'590 molecules and tested on 40 external molecules (r2 = 0.94)

2.38

Application In Synthesis of [ 375-85-9 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 375-85-9 ]

[ 375-85-9 ] Synthesis Path-Downstream   1~2

  • 1
  • (E)-1,1,1,2,2,3,3,4,5,6,6,7,7,8,8,9,9,9-Octadecafluoro-non-4-ene [ No CAS ]
  • [ 375-22-4 ]
  • [ 422-64-0 ]
  • [ 2706-90-3 ]
  • [ 307-24-4 ]
  • [ 375-85-9 ]
  • [ 76-05-1 ]
  • 2
  • [ 335-67-1 ]
  • [ 375-22-4 ]
  • [ 422-64-0 ]
  • [ 2706-90-3 ]
  • [ 307-24-4 ]
  • [ 375-85-9 ]
  • [ 76-05-1 ]
YieldReaction ConditionsOperation in experiment
With titanium dioxide P-25; water; oxygen; at 30℃; for 15h;UV-irradiation;Kinetics; Catalytic behavior; Mechanism; The photocatalytic apparatus was a 1 L glass stirred reactor equipped with an iron halogenide UV lamp (500 W, Jelosil®HG500) emitting light at wavelengths of 315?400 nm and able t oirradiate the reactor with a specific power of 75 W/m2. The UV lamp was placed beside the reactor, which was cooled with water at a temperature of 30.0 ± 0.5 °C [27]. Titanium dioxide was introduced in the reactor at the beginning of each test (0.66 g/L) [27]. The variation of the surfactant concentration in solution was monitored by Total Organic Carbon (TOC) analysis and Ionic Chromatography [27]. The PFOA initial concentration ([PFOA]0=4 mM) was maintained lower than its CMC (7.8 mM [47]) in order to avoid the formation of emulsions that would reduce the TiO2-promoted photodegradation rates [27,28]. Moreover, the PFOA initial concentration was high enough to allow the detection of the degradation intermediates, even at very low concentrations. Each kinetic test was repeated three times in order to evaluate the error extent and realized by collecting samples (10 mL) of the reaction mixture at predetermined reaction times. Samples were centrifugedand filtered through a 0.45 mm polycarbonate membrane in order to separate the TiO2 powder from the solution.
 

Historical Records

Technical Information

Categories

Similar Product of
[ 375-85-9 ]

Chemical Structure| 864071-03-4

A1267912 [864071-03-4]

Perfluoroheptanoic Acid-13C

Reason: Stable Isotope