3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid
TL;DR: 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 7467-76-7) is a chemical compound with molecular formula C13H17NO6 and molecular weight 283.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(ethoxycarbonyl)-1,4-dimethylpyrrole-2-carboxylic acid
Also Known As: 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid, 3,5-bis(ethoxycarbonyl)-1,4-dimethylpyrrole-2-carboxylic aci, 3,5-bis(ethoxycarbonyl)-1,4-dimethylpyrrole-2-carboxylic acid, 3,5-bis(ethoxycarbonyl)-1,4-dimethyl-pyrrole-2-carboxylic acid
| Molecular Formula | C13H17NO6 |
|---|---|
| Molecular Weight | 283.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 283.1056 |
| Heavy Atoms | 20 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 7467-76-7 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=C1C)C(=O)OCC)C)C(=O)O |
| InChIKey | WNFIYVGMYNHTAP-UHFFFAOYSA-N |
Product Overview
3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid (CAS 7467-76-7), with molecular formula C13H17NO6 and molecular weight 283.11 g/mol. IUPAC: 3,5-bis(ethoxycarbonyl)-1,4-dimethylpyrrole-2-carboxylic acid.
Chemical Property Profile of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid
Property Insights of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid. Following Lipinski's Rule of Five, 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid has 1 hydrogen bond donor(s) and 6 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 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid?
The CAS number of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid is 7467-76-7.
What is the molecular formula of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular formula of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid is C13H17NO6.
What is the molecular weight of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid?
The molecular weight of 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid is 283.11 g/mol.
Where can I buy 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid?
You can request a quote for 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(ethoxycarbonyl)-1,4-dimethyl-1H-pyrrole-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.