3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester
TL;DR: 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester (CAS 128773-39-7) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethyl-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid
Also Known As: 4-ethyl-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic Acid, 3-ETHYL-5-METHYL-1H-PYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.94072 |
| Topological Polar Surface Area | 79.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 658.41656 |
Chemical Identifiers
| CAS Number | 128773-39-7 |
|---|---|
| SMILES | CCC1=C(NC(=C1C(=O)O)C)C(=O)OCC2=CC=CC=C2 |
Product Overview
3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester (CAS 128773-39-7), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: 4-ethyl-2-methyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester
Property Insights of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester
The XLogP value of 2.94072 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester. The TPSA of 79.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester. Following Lipinski's Rule of Five, 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester has 2 hydrogen bond donor(s) and 3 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-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester?
The CAS number of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester is 128773-39-7.
What is the molecular formula of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester?
The molecular formula of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester is C16H17NO4.
What is the molecular weight of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester?
The molecular weight of 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester is 287.12 g/mol.
Where can I buy 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester?
You can request a quote for 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-5-methyl-1H-pyrrole-2,4-dicarboxylic acid 2-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.