邻氯苯乙酸
TL;DR: 邻氯苯乙酸 (CAS 2444-36-2) 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.
邻氯苯乙酸
2-(2-chlorophenyl)acetic acid
Also Known As: 2-CHLOROPHENYLACETIC ACID, 2-(2-chlorophenyl)acetic acid, o-Chlorophenylacetic acid, (2-Chlorophenyl)acetic acid, 2-Chlorophenylaceticacid
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.0 |
| 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 | 147.0 |
Chemical Identifiers
| CAS Number | 2444-36-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(=O)O)Cl |
| InChIKey | IUJAAIZKRJJZGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻氯苯乙酸 (CAS 2444-36-2), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 2-(2-chlorophenyl)acetic acid.
Chemical Property Profile of 邻氯苯乙酸
Property Insights of 邻氯苯乙酸
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻氯苯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 邻氯苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻氯苯乙酸 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 邻氯苯乙酸?
The CAS number of 邻氯苯乙酸 is 2444-36-2.
What is the molecular formula of 邻氯苯乙酸?
The molecular formula of 邻氯苯乙酸 is C8H7ClO2.
What is the molecular weight of 邻氯苯乙酸?
The molecular weight of 邻氯苯乙酸 is 170.01 g/mol.
Where can I buy 邻氯苯乙酸?
You can request a quote for 邻氯苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻氯苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 邻氯苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.