Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate (CAS 938-75-0) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
Also Known As: Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate, 2-ethoxycarbonyl-3,4-dimethylpyrrole, ethyl 3,4-dimethylpyrrole-2-carboxylate, 1H-Pyrrole-2-carboxylic acid, 3,4-dimethyl-, ethyl ester, Ethyl3,4-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.80824 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 288.7187 |
Chemical Identifiers
| CAS Number | 938-75-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=CN1)C)C |
Product Overview
Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate (CAS 938-75-0), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.80824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 2 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 Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 938-75-0.
What is the molecular formula of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is C9H13NO2.
What is the molecular weight of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate is 167.09 g/mol.
Where can I buy Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,4-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.