Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate
TL;DR: Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate (CAS 41457-17-4) is a chemical compound with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(5-acetamido-3-methyl-1,2-oxazol-4-yl)carbamate
Also Known As: Aethyl-4-triaethylsilyl-butyrat, Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate, ethyl N-(5-acetamido-3-methyl-isoxazol-4-yl)carbamate, ethyl[5-(acetylamino)-3-methyl-1,2-oxazol-4-yl]carbamate, ethyl N-(5-acetamido-3-methyl-oxazol-4-yl)carbamate
| Molecular Formula | C9H13N3O4 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.0906 |
| Heavy Atoms | 16 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 41457-17-4 |
|---|---|
| SMILES | CCOC(=O)NC1=C(ON=C1C)NC(=O)C |
| InChIKey | LWOUHYYSDYNAEC-UHFFFAOYSA-N |
Product Overview
Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate (CAS 41457-17-4), with molecular formula C9H13N3O4 and molecular weight 227.09 g/mol. IUPAC: ethyl N-(5-acetamido-3-methyl-1,2-oxazol-4-yl)carbamate.
Chemical Property Profile of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate
Property Insights of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate. Following Lipinski's Rule of Five, Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate has 2 hydrogen bond donor(s) and 5 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-acetamido-3-methylisoxazol-4-yl)carbamate?
The CAS number of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate is 41457-17-4.
What is the molecular formula of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate?
The molecular formula of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate is C9H13N3O4.
What is the molecular weight of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate?
The molecular weight of Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate is 227.09 g/mol.
Where can I buy Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate?
You can request a quote for Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (5-acetamido-3-methylisoxazol-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.