Chloro(phenyl)acetic acid
TL;DR: Chloro(phenyl)acetic acid (CAS 4755-72-0) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-phenylacetic acid
Also Known As: 2-chloro-2-phenylacetic acid, Chloro(phenyl)acetic acid, Chlorophenylacetic acid, a-chlorophenylacetic acid, alpha-CHLOROPHENYLACETIC ACID
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 4755-72-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)Cl |
| InChIKey | QKSGIGXOKHZCQZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 16 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloro(phenyl)acetic acid (CAS 4755-72-0), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 2-chloro-2-phenylacetic acid.
Chemical Property Profile of Chloro(phenyl)acetic acid
Property Insights of Chloro(phenyl)acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloro(phenyl)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, Chloro(phenyl)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloro(phenyl)acetic acid has 1 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 Chloro(phenyl)acetic acid?
The CAS number of Chloro(phenyl)acetic acid is 4755-72-0.
What is the molecular formula of Chloro(phenyl)acetic acid?
The molecular formula of Chloro(phenyl)acetic acid is C8H7ClO2.
What is the molecular weight of Chloro(phenyl)acetic acid?
The molecular weight of Chloro(phenyl)acetic acid is 170.01 g/mol.
Where can I buy Chloro(phenyl)acetic acid?
You can request a quote for Chloro(phenyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloro(phenyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for Chloro(phenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.