1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester
TL;DR: 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester (CAS 65100-86-9) is a chemical compound with molecular formula C10H11NO5 and molecular weight 225.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: Dimethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate, 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester, 1H-Pyrrole-2,4-dicarboxylic acid,5-formyl-3-methyl-,dimethyl ester
| Molecular Formula | C10H11NO5 |
|---|---|
| Molecular Weight | 225.06 g/mol |
| LogP | 0.70882 |
| Topological Polar Surface Area | 85.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 225.06372 |
| Heavy Atoms | 16 |
| Complexity | 446.307 |
Chemical Identifiers
| CAS Number | 65100-86-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C=O)C(=O)OC |
Product Overview
1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester (CAS 65100-86-9), with molecular formula C10H11NO5 and molecular weight 225.06 g/mol. IUPAC: dimethyl 5-formyl-3-methyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester
Property Insights of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester
The XLogP value of 0.70882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester. The TPSA of 85.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester. Following Lipinski's Rule of Five, 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester has 1 hydrogen bond donor(s) and 5 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 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester?
The CAS number of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester is 65100-86-9.
What is the molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester?
The molecular formula of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester is C10H11NO5.
What is the molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester?
The molecular weight of 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester is 225.06 g/mol.
Where can I buy 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester?
You can request a quote for 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole-2,4-dicarboxylic acid, 5-formyl-3-methyl-, dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.