3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate
TL;DR: 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate (CAS 67855-96-3) 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.
3-O-ethyl 2-O-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate
Also Known As: 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate, 3-O-ethyl 2-O-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate, Ethyl Methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate, 1H-Pyrrole-2,3-dicarboxylic acid, 4-methyl-, 3-ethyl 2-methyl ester, 3-ETHYL 2-METHYL 4-METHYL-2,3-PYRROLEDICARBOXYLATE
| Molecular Formula | C10H13NO4 |
|---|---|
| Molecular Weight | 211.08 g/mol |
| LogP | 1.28642 |
| Topological Polar Surface Area | 68.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.08446 |
| Heavy Atoms | 15 |
| Complexity | 380.77414 |
Chemical Identifiers
| CAS Number | 67855-96-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC=C1C)C(=O)OC |
Product Overview
3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate (CAS 67855-96-3), with molecular formula C10H13NO4 and molecular weight 211.08 g/mol. IUPAC: 3-O-ethyl 2-O-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate.
Chemical Property Profile of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate
Property Insights of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate
The XLogP value of 1.28642 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate. The TPSA of 68.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate. Following Lipinski's Rule of Five, 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate 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-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate?
The CAS number of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate is 67855-96-3.
What is the molecular formula of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate?
The molecular formula of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate is C10H13NO4.
What is the molecular weight of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate?
The molecular weight of 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate is 211.08 g/mol.
Where can I buy 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate?
You can request a quote for 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl 2-methyl 4-methyl-1H-pyrrole-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.