methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 27093-38-5) is a chemical compound with molecular formula C10H15NO2 and molecular weight 181.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate, METHYL 2,5-DIMETHYL-4-ETHYLPYRROLE-3-CARBOXYLATE, 4-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid methyl ester, 1H-Pyrrole-3-carboxylicacid, 4-ethyl-2,5-dimethyl-, methyl ester
| Molecular Formula | C10H15NO2 |
|---|---|
| Molecular Weight | 181.11 g/mol |
| LogP | 1.98054 |
| Topological Polar Surface Area | 42.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 181.11028 |
| Heavy Atoms | 13 |
| Complexity | 325.9109 |
Chemical Identifiers
| CAS Number | 27093-38-5 |
|---|---|
| SMILES | CCC1=C(NC(=C1C(=O)OC)C)C |
Product Overview
methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate (CAS 27093-38-5), with molecular formula C10H15NO2 and molecular weight 181.11 g/mol. IUPAC: methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.98054 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 42.09 Ų, methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-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 methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 27093-38-5.
What is the molecular formula of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is C10H15NO2.
What is the molecular weight of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate is 181.11 g/mol.
Where can I buy methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-ethyl-2,5-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.