ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
TL;DR: ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 6314-22-3) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Also Known As: ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate, NCIOpen2_002704, 5-Acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester, 5-acetyl-2,4-dimethyl-pyrrole-3-carboxylicaciethylester, BAS 00225322
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 59.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 6314-22-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C1C)C(=O)C)C |
| InChIKey | ZCNAULQFSXEJTD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate (CAS 6314-22-3), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate.
Chemical Property Profile of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
Property Insights of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate. With a topological polar surface area (TPSA) of 59.2 Ų, ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-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 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The CAS number of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is 6314-22-3.
What is the molecular formula of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular formula of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is C11H15NO3.
What is the molecular weight of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
The molecular weight of ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate is 209.11 g/mol.
Where can I buy ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
You can request a quote for ethyl 5-acetyl-2,4-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 ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 5-acetyl-2,4-dimethyl-1H-pyrrole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.