3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid
TL;DR: 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid (CAS 284488-69-3) is a chemical compound with molecular formula C12H13NO5 and molecular weight 251.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid
Also Known As: ChemDiv1_027057, 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid, 4-(2,5-Dimethoxyanilino)-4-oxobut-2-enoic acid, 4-(2,5-dimethoxyanilino)-4-oxo-but-2-enoic acid, (2Z)-3-[(2,5-dimethoxyphenyl)carbamoyl]prop-2-enoic acid
| Molecular Formula | C12H13NO5 |
|---|---|
| Molecular Weight | 251.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 251.07938 |
| Heavy Atoms | 18 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 284488-69-3 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)NC(=O)C=CC(=O)O |
| InChIKey | LCOSAGWQXISENW-UHFFFAOYSA-N |
Product Overview
3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid (CAS 284488-69-3), with molecular formula C12H13NO5 and molecular weight 251.08 g/mol. IUPAC: 4-(2,5-dimethoxyanilino)-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid
Property Insights of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid. Following Lipinski's Rule of Five, 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid has 2 hydrogen bond donor(s) and 5 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-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid?
The CAS number of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid is 284488-69-3.
What is the molecular formula of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid?
The molecular formula of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid is C12H13NO5.
What is the molecular weight of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid?
The molecular weight of 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid is 251.08 g/mol.
Where can I buy 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid?
You can request a quote for 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,5-Dimethoxy-phenylcarbamoyl)-acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.