3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
TL;DR: 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 5443-41-4) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
Also Known As: 9-Phenyl-harnsaeure, 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid, 3-[4-(ethoxycarbonyl)-2,5-dimethyl-1h-pyrrol-3-yl]prop-2-enoic acid, 1H-Pyrrole-3-carboxylicacid, 4-(2-carboxyethenyl)-2,5-dimethyl-, 3-ethyl ester
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 5443-41-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C=CC(=O)O)C)C |
| InChIKey | WCLGMNCYFCZZDZ-UHFFFAOYSA-N |
Product Overview
3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid (CAS 5443-41-4), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid.
Chemical Property Profile of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
Property Insights of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid. Following Lipinski's Rule of Five, 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid has 2 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-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The CAS number of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is 5443-41-4.
What is the molecular formula of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular formula of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is C12H15NO4.
What is the molecular weight of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
The molecular weight of 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid is 237.10 g/mol.
Where can I buy 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
You can request a quote for 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)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-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-ethoxycarbonyl-2,5-dimethyl-1H-pyrrol-3-yl)prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.