2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester
TL;DR: 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester (CAS 37789-64-3) is a chemical compound with molecular formula C12H17NO4 and molecular weight 239.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
Also Known As: 4-(2-Carboxy-ethyl)-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester, 1975AE, 3-(5-(Ethoxycarbonyl)-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid, 1H-Pyrrole-3-propanoic acid,4-dimethyl-, 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid
| Molecular Formula | C12H17NO4 |
|---|---|
| Molecular Weight | 239.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.11575 |
| Heavy Atoms | 17 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 37789-64-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)C)CCC(=O)O)C |
| InChIKey | CUMYMXCUGHBKLV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester (CAS 37789-64-3), with molecular formula C12H17NO4 and molecular weight 239.12 g/mol. IUPAC: 3-(5-ethoxycarbonyl-2,4-dimethyl-1H-pyrrol-3-yl)propanoic acid.
Chemical Property Profile of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester
Property Insights of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester 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 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester?
The CAS number of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester is 37789-64-3.
What is the molecular formula of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester?
The molecular formula of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester is C12H17NO4.
What is the molecular weight of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester?
The molecular weight of 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester is 239.12 g/mol.
Where can I buy 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester?
You can request a quote for 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-carboxy-1H-pyrrole-3-propanoic acid 5-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.