![3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid structure](/static/products/4058/405898-28-4.webp)
3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid
TL;DR: 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid (CAS 405898-28-4) is a chemical compound with molecular formula C14H17NO5 and molecular weight 279.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
Also Known As: 3-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid, (E)-4-[(3,4-dimethoxyphenethyl)amino]-4-oxo-2-butenoic acid, (Z)-4-((3,4-dimethoxyphenethyl)amino)-4-oxobut-2-enoic acid, 4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxo-but-2-enoic acid, 4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid
| Molecular Formula | C14H17NO5 |
|---|---|
| Molecular Weight | 279.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 84.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 279.1107 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 405898-28-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCNC(=O)C=CC(=O)O)OC |
| InChIKey | JPUUXDFBHSYRHR-UHFFFAOYSA-N |
Product Overview
3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid (CAS 405898-28-4), with molecular formula C14H17NO5 and molecular weight 279.11 g/mol. IUPAC: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobut-2-enoic acid.
Chemical Property Profile of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid
Property Insights of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid. The TPSA of 84.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid. Following Lipinski's Rule of Five, 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic 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-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid?
The CAS number of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid is 405898-28-4.
What is the molecular formula of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid?
The molecular formula of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid is C14H17NO5.
What is the molecular weight of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid?
The molecular weight of 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid is 279.11 g/mol.
Where can I buy 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid?
You can request a quote for 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-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-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[2-(3,4-Dimethoxyphenyl)ethyl]carbamoyl}prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.