ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate (CAS 37013-86-8) is a chemical compound with molecular formula C12H17NO3 and molecular weight 223.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
Also Known As: ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate, 4-bromonaphthalen-1-ol, C-0051, 1H-Pyrrole-2-carboxylic acid, 4-acetyl-3-ethyl-5-methyl-, ethyl ester, ethyl4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C12H17NO3 |
|---|---|
| Molecular Weight | 223.12 g/mol |
| LogP | 2.26482 |
| Topological Polar Surface Area | 59.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.12085 |
| Heavy Atoms | 16 |
| Complexity | 418.14352 |
Chemical Identifiers
| CAS Number | 37013-86-8 |
|---|---|
| SMILES | CCC1=C(NC(=C1C(=O)C)C)C(=O)OCC |
Product Overview
ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate (CAS 37013-86-8), with molecular formula C12H17NO3 and molecular weight 223.12 g/mol. IUPAC: ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate.
Chemical Property Profile of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate
The XLogP value of 2.26482 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate. With a topological polar surface area (TPSA) of 59.16 Ų, ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate has 1 hydrogen bond donor(s) and 3 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 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate is 37013-86-8.
What is the molecular formula of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate is C12H17NO3.
What is the molecular weight of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate is 223.12 g/mol.
Where can I buy ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 4-acetyl-3-ethyl-5-methyl-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 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.