Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester
TL;DR: Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester (CAS 69912-09-0) is a chemical compound with molecular formula C15H15NO4 and molecular weight 273.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid
Also Known As: 5-[(Benzyloxy)carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid, Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester, 2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid, 3,5-DIMETHYLPYRROLE-2,4-DICARBOXYLIC ACID 2-BENZYL ESTER, 5-[(Benzyloxy)carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid #
| Molecular Formula | C15H15NO4 |
|---|---|
| Molecular Weight | 273.10 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 79.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.1001 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 69912-09-0 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)O)C)C(=O)OCC2=CC=CC=C2 |
| InChIKey | UKIAVYVRZNDPNZ-UHFFFAOYSA-N |
Product Overview
Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester (CAS 69912-09-0), with molecular formula C15H15NO4 and molecular weight 273.10 g/mol. IUPAC: 2,4-dimethyl-5-phenylmethoxycarbonyl-1H-pyrrole-3-carboxylic acid.
Chemical Property Profile of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester
Property Insights of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester. The TPSA of 79.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester. Following Lipinski's Rule of Five, Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl 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 Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester?
The CAS number of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester is 69912-09-0.
What is the molecular formula of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester?
The molecular formula of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester is C15H15NO4.
What is the molecular weight of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester?
The molecular weight of Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester is 273.10 g/mol.
Where can I buy Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester?
You can request a quote for Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 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 Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for Pyrrole-2,4-dicarboxylic acid, 3,5-dimethyl-, 2-benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.