Phenylacetic acid, 2-chlorophenyl ester
TL;DR: Phenylacetic acid, 2-chlorophenyl ester (CAS 56379-65-8) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chlorophenyl) 2-phenylacetate
Also Known As: 2-chlorophenyl phenylacetate, 2-chlorophenyl 2-phenylacetate, Phenylacetic acid, 2-chlorophenyl ester, (2-chlorophenyl) 2-phenylacetate, Phenylacetic acid 2-chlorophenyl ester
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 56379-65-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)OC2=CC=CC=C2Cl |
| InChIKey | KQBWWQRVHFNTSK-UHFFFAOYSA-N |
Product Overview
Phenylacetic acid, 2-chlorophenyl ester (CAS 56379-65-8), with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol. IUPAC: (2-chlorophenyl) 2-phenylacetate.
Chemical Property Profile of Phenylacetic acid, 2-chlorophenyl ester
Property Insights of Phenylacetic acid, 2-chlorophenyl ester
The XLogP value of 3.8 indicates that Phenylacetic acid, 2-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenylacetic acid, 2-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylacetic acid, 2-chlorophenyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Phenylacetic acid, 2-chlorophenyl ester?
The CAS number of Phenylacetic acid, 2-chlorophenyl ester is 56379-65-8.
What is the molecular formula of Phenylacetic acid, 2-chlorophenyl ester?
The molecular formula of Phenylacetic acid, 2-chlorophenyl ester is C14H11ClO2.
What is the molecular weight of Phenylacetic acid, 2-chlorophenyl ester?
The molecular weight of Phenylacetic acid, 2-chlorophenyl ester is 246.04 g/mol.
Where can I buy Phenylacetic acid, 2-chlorophenyl ester?
You can request a quote for Phenylacetic acid, 2-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylacetic acid, 2-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phenylacetic acid, 2-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.