2-溴-3-(2-氯苯基)丙酸
TL;DR: 2-溴-3-(2-氯苯基)丙酸 (CAS 91615-54-2) is a chemical compound with molecular formula C9H8BrClO2 and molecular weight 261.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-溴-3-(2-氯苯基)丙酸
2-bromo-3-(2-chlorophenyl)propanoic acid
Also Known As: 2-bromo-3-(2-chlorophenyl)propanoic acid, AmbscPOD_08/0712
| Molecular Formula | C9H8BrClO2 |
|---|---|
| Molecular Weight | 261.94 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.9396 |
| Heavy Atoms | 13 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 91615-54-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C(=O)O)Br)Cl |
| InChIKey | BZALCDYHCUTVEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-溴-3-(2-氯苯基)丙酸 (CAS 91615-54-2), with molecular formula C9H8BrClO2 and molecular weight 261.94 g/mol. IUPAC: 2-bromo-3-(2-chlorophenyl)propanoic acid.
Chemical Property Profile of 2-溴-3-(2-氯苯基)丙酸
Property Insights of 2-溴-3-(2-氯苯基)丙酸
The XLogP value of 3.2 indicates that 2-溴-3-(2-氯苯基)丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-溴-3-(2-氯苯基)丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-溴-3-(2-氯苯基)丙酸 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 2-溴-3-(2-氯苯基)丙酸?
The CAS number of 2-溴-3-(2-氯苯基)丙酸 is 91615-54-2.
What is the molecular formula of 2-溴-3-(2-氯苯基)丙酸?
The molecular formula of 2-溴-3-(2-氯苯基)丙酸 is C9H8BrClO2.
What is the molecular weight of 2-溴-3-(2-氯苯基)丙酸?
The molecular weight of 2-溴-3-(2-氯苯基)丙酸 is 261.94 g/mol.
Where can I buy 2-溴-3-(2-氯苯基)丙酸?
You can request a quote for 2-溴-3-(2-氯苯基)丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-溴-3-(2-氯苯基)丙酸?
Yes, KEHONG BIO provides custom synthesis services for 2-溴-3-(2-氯苯基)丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.