3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid
TL;DR: 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid (CAS 41234-19-9) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid
Also Known As: 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoacrylic acid, 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid, 3-(2-bromo-4,5-dimethoxy-phenyl)-2-cyano-prop-2-enoic Acid
| Molecular Formula | C12H10BrNO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 2.45788 |
| Topological Polar Surface Area | 79.55 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.9793 |
| Heavy Atoms | 18 |
| Complexity | 545.7438 |
Chemical Identifiers
| CAS Number | 41234-19-9 |
|---|---|
| SMILES | COC1=C(C=C(C(=C1)C=C(C#N)C(=O)O)Br)OC |
Product Overview
3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid (CAS 41234-19-9), with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol. IUPAC: 3-(2-bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid.
Chemical Property Profile of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid
Property Insights of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid
The XLogP value of 2.45788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid. The TPSA of 79.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid. Following Lipinski's Rule of Five, 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid has 1 hydrogen bond donor(s) and 4 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-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid?
The CAS number of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid is 41234-19-9.
What is the molecular formula of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid?
The molecular formula of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid is C12H10BrNO4.
What is the molecular weight of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid?
The molecular weight of 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid is 310.98 g/mol.
Where can I buy 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid?
You can request a quote for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Bromo-4,5-dimethoxyphenyl)-2-cyanoprop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.