![CAS 1373162-82-3 2-Propenoic acid,[1,1′-biphenyl]-2-ylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/1373162-82-3.png)
CAS RN: 1373162-82-3
2-Propenoic acid,[1,1′-biphenyl]-2-ylmethyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251003 | 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: LINP886585
1373162-82-3 / (2-phenylphenyl)methyl prop-2-enoate
Basic Information
CAS
1373162-82-3
Multi CAS
No
Molecular Formula
C16H14O2
Molecular Weight
238.280000
Exact Mass
238.099380
SMILES
C=CC(=O)OCC1=CC=CC=C1C2=CC=CC=C2
InChI
InChI=1S/C16H14O2/c1-2-16(17)18-12-14-10-6-7-11-15(14)13-8-4-3-5-9-13/h2-11H,1,12H2
InChIKey
PKMSXGVLJHFQHJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.06
Rotatable bonds
4
H-bond acceptors
2
Molar refractivity
71.87
TPSA
26.3
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.8
Consensus LogP
3.51
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.1
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.66
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.63
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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