2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
TL;DR: 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid (CAS 7473-14-5) is a chemical compound with molecular formula C11H13NO6 and molecular weight 255.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
Also Known As: 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid, 2-(Carboxymethyl)-5-(ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid, 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-car
| Molecular Formula | C11H13NO6 |
|---|---|
| Molecular Weight | 255.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 255.07428 |
| Heavy Atoms | 18 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 7473-14-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1)CC(=O)O)C(=O)O)C |
| InChIKey | GNTIXMATRBQDSA-UHFFFAOYSA-N |
Product Overview
2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid (CAS 7473-14-5), with molecular formula C11H13NO6 and molecular weight 255.07 g/mol. IUPAC: 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
Property Insights of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid. Following Lipinski's Rule of Five, 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid has 3 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 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid?
The CAS number of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid is 7473-14-5.
What is the molecular formula of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid?
The molecular formula of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid is C11H13NO6.
What is the molecular weight of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid?
The molecular weight of 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid is 255.07 g/mol.
Where can I buy 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid?
You can request a quote for 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(carboxymethyl)-5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.