![CAS 6524-81-8 [1,1′-Biphenyl]-4-acetic acid, α-methyl-, ethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6524-81-8.gif)
CAS RN: 6524-81-8
[1,1′-Biphenyl]-4-acetic acid, α-methyl-, ethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260117 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS6524-81-8
- Purity/Analytical Methods: >99.0%
6524-81-8 / ethyl 2-(4-phenylphenyl)propanoate
Basic Information
CAS
6524-81-8
Multi CAS
No
Molecular Formula
C17H18O2
Molecular Weight
254.320000
Exact Mass
254.130680
InChI
InChI=1S/C17H18O2/c1-3-19-17(18)13(2)14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3
InChIKey
FNPDYHZIKDFYDA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
76.93
TPSA
26.3
LogP / Solubility
WLOGP
4.02
MLOGP
3.54
XLogP3
4.3
Consensus LogP
3.95
Log S (ESOL)
-4.15
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.55
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.13
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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