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[ CAS No. 370-86-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 370-86-5
Chemical Structure| 370-86-5
Structure of 370-86-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 370-86-5 ]

Related Doc. of [ 370-86-5 ]

Alternatived Products of [ 370-86-5 ]

Product Details of [ 370-86-5 ]

CAS No. :370-86-5 MDL No. :MFCD00009699
Formula : C10H5F3N4O Boiling Point : -
Linear Structure Formula :- InChI Key :BMZRVOVNUMQTIN-UHFFFAOYSA-N
M.W : 254.17 Pubchem ID :3330
Synonyms :
Carbonyl cyanide 4-(trifluoromethoxy)phenylhydrazone;Trifluoromethoxy carbonylcyanide phenylhydrazone;para-Trifluoromethoxyphenylhydrazone, Carbonyl Cyanide.;p-Trifluoromethoxyphenylhydrazone, Carbonyl Cyanide;Carbonyl Cyanide para Trifluoromethoxyphenylhydrazone;Carbonyl cyanide-p-trifluoromethoxyphenylhydrazone

Calculated chemistry of [ 370-86-5 ]

Physicochemical Properties

Num. heavy atoms : 18
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.1
Num. rotatable bonds : 4
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 55.23
TPSA : 81.2 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.24 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.24
Log Po/w (XLOGP3) : 3.68
Log Po/w (WLOGP) : 3.47
Log Po/w (MLOGP) : 0.53
Log Po/w (SILICOS-IT) : 1.76
Consensus Log Po/w : 2.14

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.72
Solubility : 0.0488 mg/ml ; 0.000192 mol/l
Class : Soluble
Log S (Ali) : -5.08
Solubility : 0.00214 mg/ml ; 0.00000841 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.35
Solubility : 0.115 mg/ml ; 0.000451 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 1.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.22

Safety of [ 370-86-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P501-P261-P273-P270-P271-P264-P280-P337+P313-P305+P351+P338-P361+P364-P332+P313-P301+P310+P330-P302+P352+P312-P304+P340+P311-P403+P233-P405 UN#:3439
Hazard Statements:H301+H311+H331-H315-H319-H413 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 370-86-5 ]

* 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.

  • Upstream synthesis route of [ 370-86-5 ]
  • Downstream synthetic route of [ 370-86-5 ]

[ 370-86-5 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 461-82-5 ]
  • [ 109-77-3 ]
  • [ 370-86-5 ]
Reference: [1] Chemical Communications, 2014, vol. 50, # 11, p. 1341 - 1343
[2] Tetrahedron, 2010, vol. 66, # 13, p. 2384 - 2389
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