CAS RN: 376-06-7
PERFLUOROTETRADECANOIC ACID
Product Availability
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3 package records0 with current stock1 grade group
- Product code: starshine_CAS376-06-7
- Purity/Analytical Methods: >99.0%
376-06-7 / 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-heptacosafluorotetradecanoic acid
Basic Information
CAS
376-06-7
Multi CAS
Yes
Molecular Formula
C14F27HO2
Molecular Weight
714.110000
Exact Mass
713.954540
InChI
InChI=1S/C14HF27O2/c15-2(16,1(42)43)3(17,18)4(19,20)5(21,22)6(23,24)7(25,26)8(27,28)9(29,30)10(31,32)11(33,34)12(35,36)13(37,38)14(39,40)41/h(H,42,43)
InChIKey
RUDINRUXCKIXAJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Fraction Csp3
0.93
Rotatable bonds
12
H-bond acceptors
1
H-bond donors
1
Molar refractivity
73.05
TPSA
37.3
LogP / Solubility
WLOGP
8.26
MLOGP
7.33
XLogP3
9
Consensus LogP
8.2
Log S (ESOL)
-8.68
Class (ESOL)
Insoluble
Log S (Ali)
-11.38
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-12.59
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.21
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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