Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate
TL;DR: Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 78052-52-5) is a chemical compound with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-acetamido-1,5-dimethylpyrrole-2-carboxylate
Also Known As: Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate, ethyl 4-acetamido-1,5-dimethylpyrrole-2-carboxylate, ethyl 4-acetamido-1,5-dimethyl-pyrrole-2-carboxylate, Ethyl 4-(acetylamino)-1,5-dimethyl-1H-pyrrole-2-carboxylate, RefChem:343806
| Molecular Formula | C11H16N2O3 |
|---|---|
| Molecular Weight | 224.12 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 224.11609 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 78052-52-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(N1C)C)NC(=O)C |
| InChIKey | WUYPTXIKBIEUPB-UHFFFAOYSA-N |
Product Overview
Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate (CAS 78052-52-5), with molecular formula C11H16N2O3 and molecular weight 224.12 g/mol. IUPAC: ethyl 4-acetamido-1,5-dimethylpyrrole-2-carboxylate.
Chemical Property Profile of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate
Property Insights of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4-acetamido-1,5-dimethyl-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-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate?
The CAS number of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate is 78052-52-5.
What is the molecular formula of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular formula of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate is C11H16N2O3.
What is the molecular weight of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate?
The molecular weight of Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate is 224.12 g/mol.
Where can I buy Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate?
You can request a quote for Ethyl 4-acetamido-1,5-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 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetamido-1,5-dimethyl-1H-pyrrole-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.