3-(5-Bromo-2-cyanophenyl)-2-propenoic acid
TL;DR: 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid (CAS 27514-60-9) is a chemical compound with molecular formula C10H6BrNO2 and molecular weight 250.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-2-cyanophenyl)prop-2-enoic acid
Also Known As: 5-bromo-2-cyanocinnamic acid, 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid, 3-(5-bromo-2-cyanophenyl)prop-2-enoic acid, BAS 00281278, 2-Propenoic acid, 3-(5-bromo-2-cyanophenyl)-, (E)-
| Molecular Formula | C10H6BrNO2 |
|---|---|
| Molecular Weight | 250.96 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 61.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.95819 |
| Heavy Atoms | 14 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 27514-60-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C=CC(=O)O)C#N |
| InChIKey | IEKHHQWWABKLPX-UHFFFAOYSA-N |
Product Overview
3-(5-Bromo-2-cyanophenyl)-2-propenoic acid (CAS 27514-60-9), with molecular formula C10H6BrNO2 and molecular weight 250.96 g/mol. IUPAC: 3-(5-bromo-2-cyanophenyl)prop-2-enoic acid.
Chemical Property Profile of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid
Property Insights of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid. The TPSA of 61.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid. Following Lipinski's Rule of Five, 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid has 1 hydrogen bond donor(s) and 3 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 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid?
The CAS number of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid is 27514-60-9.
What is the molecular formula of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid?
The molecular formula of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid is C10H6BrNO2.
What is the molecular weight of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid?
The molecular weight of 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid is 250.96 g/mol.
Where can I buy 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid?
You can request a quote for 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Bromo-2-cyanophenyl)-2-propenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.