Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate
TL;DR: Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate (CAS 120750-19-8) is a chemical compound with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate
Also Known As: ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate, ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate, Ethyl (4-acetyl-3-methylisothiazol-5-yl)carbamate, Ethyl(4-acetyl-3-methylisothiazol-5-yl)carbamate, Carbamic acid, (4-acetyl-3-methyl-5-isothiazolyl)-, ethyl ester
| Molecular Formula | C9H12N2O3S |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.22252 |
| Topological Polar Surface Area | 68.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.05687 |
| Heavy Atoms | 15 |
| Complexity | 386.70923 |
Chemical Identifiers
| CAS Number | 120750-19-8 |
|---|---|
| SMILES | CCOC(=O)NC1=C(C(=NS1)C)C(=O)C |
Product Overview
Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate (CAS 120750-19-8), with molecular formula C9H12N2O3S and molecular weight 228.06 g/mol. IUPAC: ethyl N-(4-acetyl-3-methyl-1,2-thiazol-5-yl)carbamate.
Chemical Property Profile of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate
Property Insights of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate
The XLogP value of 2.22252 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate. The TPSA of 68.29 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate. Following Lipinski's Rule of Five, Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate has 1 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 4-acetyl-3-methylisothiazol-5-ylcarbamate?
The CAS number of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate is 120750-19-8.
What is the molecular formula of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate?
The molecular formula of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate is C9H12N2O3S.
What is the molecular weight of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate?
The molecular weight of Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate is 228.06 g/mol.
Where can I buy Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate?
You can request a quote for Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate 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-methylisothiazol-5-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.