![CAS 81770-34-5 [1,1′-Biphenyl]-4-acetic acid, α,α-dimethyl-, methyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/81770-34-5.gif)
CAS RN: 81770-34-5
[1,1′-Biphenyl]-4-acetic acid, α,α-dimethyl-, methyl 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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250718 | 100mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
- Product code: starshine_CAS81770-34-5
- Purity/Analytical Methods: >99.0%
81770-34-5 / methyl 2-methyl-2-(4-phenylphenyl)propanoate
Basic Information
CAS
81770-34-5
Multi CAS
No
Molecular Formula
C17H18O2
Molecular Weight
254.320000
Exact Mass
254.130680
InChI
InChI=1S/C17H18O2/c1-17(2,16(18)19-3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKey
TWKNMIFAWYDVIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.24
Rotatable bonds
3
H-bond acceptors
2
Molar refractivity
76.92
TPSA
26.3
LogP / Solubility
WLOGP
3.8
MLOGP
3.35
XLogP3
4.3
Consensus LogP
3.82
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.83
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)
-1.57
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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