ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 385388-23-8) is a chemical compound with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetamido-1-acetyl-3,5-dimethylpyrrole-2-carboxylate
Also Known As: TimTec1_005896, BAS 03351585, BRD-K12330571-001-02-7, A2903/0122300, ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate
| Molecular Formula | C13H18N2O4 |
|---|---|
| Molecular Weight | 266.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.12665 |
| Heavy Atoms | 19 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 385388-23-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C(=C(N1C(=O)C)C)NC(=O)C)C |
| InChIKey | MAOUSPWMJUHFHG-UHFFFAOYSA-N |
Product Overview
ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 385388-23-8), with molecular formula C13H18N2O4 and molecular weight 266.13 g/mol. IUPAC: ethyl 4-acetamido-1-acetyl-3,5-dimethylpyrrole-2-carboxylate.
Chemical Property Profile of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate 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 ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 385388-23-8.
What is the molecular formula of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate is C13H18N2O4.
What is the molecular weight of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate is 266.13 g/mol.
Where can I buy ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for ethyl 1-acetyl-4-(acetylamino)-3,5-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 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-acetyl-4-(acetylamino)-3,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.