3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester
TL;DR: 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester (CAS 5448-17-9) is a chemical compound with molecular formula C10H13NO4 and molecular weight 211.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate
Also Known As: dimethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester, IDI1_007691, J2.133.339E, 1H-Pyrrole-2, 3,5-dimethyl-, dimethyl ester
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 5448-17-9 |
|---|---|
| SMILES | CC1=C(NC(=C1C(=O)OC)C)C(=O)OC |
| InChIKey | WUWJERLEICWRAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester (CAS 5448-17-9), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: dimethyl 3,5-dimethyl-1H-pyrrole-2,4-dicarboxylate.
Chemical Property Profile of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester
Property Insights of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester. Following Lipinski's Rule of Five, 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester has 1 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 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester?
The CAS number of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester is 5448-17-9.
What is the molecular formula of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester?
The molecular formula of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester is C10H13NO4.
What is the molecular weight of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester?
The molecular weight of 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester is 211.08 g/mol.
Where can I buy 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester?
You can request a quote for 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.