Home Cart Sign in  

[ CAS No. 14400-67-0 ] 2,5-Dimethyl-3(2H)-furanone

Cat. No.: A633485
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| 14400-67-0
Chemical Structure| 14400-67-0
Structure of 14400-67-0 * Storage: Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 1g $7.00 Inquiry Inquiry
98% 5g $18.00 Inquiry Inquiry
98% 25g $62.00 Inquiry Inquiry
98% 100g $189.00 Inquiry Inquiry

Quality Control of [ 14400-67-0 ]

Related Doc. of [ 14400-67-0 ]

Alternatived Products of [ 14400-67-0 ]
Product Citations

Product Details of [ 14400-67-0 ]

CAS No. :14400-67-0 MDL No. :MFCD00052571
Formula : C6H8O2 Boiling Point : -
Linear Structure Formula :- InChI Key :ASOSVCXGWPDUGN-UHFFFAOYSA-N
M.W : 112.13 Pubchem ID :85730
Synonyms :
Chemical Name :2,5-Dimethylfuran-3(2H)-one

Calculated chemistry of [ 14400-67-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 29.65
TPSA : 26.3 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.77
Log Po/w (XLOGP3) : 0.83
Log Po/w (WLOGP) : 0.88
Log Po/w (MLOGP) : -0.04
Log Po/w (SILICOS-IT) : 1.28
Consensus Log Po/w : 0.94

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.06
Solubility : 9.81 mg/ml ; 0.0875 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 12.2 mg/ml ; 0.108 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.85
Solubility : 15.7 mg/ml ; 0.14 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.14

Safety of [ 14400-67-0 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501 UN#:1993
Hazard Statements:H225 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

Historical Records
; ;