CAS RN: 54419-31-7
FENOFIBRIC ACID, HYDROXYMETHYL
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6 package records5 with current stock1 grade group
- Product code: starshine_CAS54419-31-7
- Purity/Analytical Methods: >99.0%
54419-31-7 / 2-[4-[(4-chlorophenyl)-hydroxymethyl]phenoxy]-2-methylpropanoic acid
Basic Information
CAS
54419-31-7
Multi CAS
Yes
Molecular Formula
C17H17CLO4
Molecular Weight
320.800000
Exact Mass
320.081537
InChI
InChI=1S/C17H17ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10,15,19H,1-2H3,(H,20,21)
InChIKey
ASDCLYXOQCGHNT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
84.3
TPSA
66.76
LogP / Solubility
WLOGP
3.66
MLOGP
3.24
XLogP3
3.4
Consensus LogP
3.43
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.84
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.39
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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