2-(2-Bromo-2-cyanoethyl)benzoic acid
TL;DR: 2-(2-Bromo-2-cyanoethyl)benzoic acid (CAS 315240-84-7) is a chemical compound with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-bromo-2-cyanoethyl)benzoic acid
Also Known As: 2-(2-bromo-2-cyanoethyl)benzoic acid, o-(2-bromo-2-cyanoethyl)benzoic acid, AO-567/40646492, F0862-0616
| Molecular Formula | C10H8BrNO2 |
|---|---|
| Molecular Weight | 252.97 g/mol |
| LogP | 2.21438 |
| Topological Polar Surface Area | 61.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 252.97385 |
| Heavy Atoms | 14 |
| Complexity | 383.95355 |
Chemical Identifiers
| CAS Number | 315240-84-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC(C#N)Br)C(=O)O |
Product Overview
2-(2-Bromo-2-cyanoethyl)benzoic acid (CAS 315240-84-7), with molecular formula C10H8BrNO2 and molecular weight 252.97 g/mol. IUPAC: 2-(2-bromo-2-cyanoethyl)benzoic acid.
Chemical Property Profile of 2-(2-Bromo-2-cyanoethyl)benzoic acid
Property Insights of 2-(2-Bromo-2-cyanoethyl)benzoic acid
The XLogP value of 2.21438 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Bromo-2-cyanoethyl)benzoic acid. The TPSA of 61.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Bromo-2-cyanoethyl)benzoic acid. Following Lipinski's Rule of Five, 2-(2-Bromo-2-cyanoethyl)benzoic 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 2-(2-Bromo-2-cyanoethyl)benzoic acid?
The CAS number of 2-(2-Bromo-2-cyanoethyl)benzoic acid is 315240-84-7.
What is the molecular formula of 2-(2-Bromo-2-cyanoethyl)benzoic acid?
The molecular formula of 2-(2-Bromo-2-cyanoethyl)benzoic acid is C10H8BrNO2.
What is the molecular weight of 2-(2-Bromo-2-cyanoethyl)benzoic acid?
The molecular weight of 2-(2-Bromo-2-cyanoethyl)benzoic acid is 252.97 g/mol.
Where can I buy 2-(2-Bromo-2-cyanoethyl)benzoic acid?
You can request a quote for 2-(2-Bromo-2-cyanoethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Bromo-2-cyanoethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Bromo-2-cyanoethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.