2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate
TL;DR: 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate (CAS 353255-52-4) is a chemical compound with molecular formula C6H4Cl3N3O4S and molecular weight 318.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl N-(5-nitro-1,3-thiazol-2-yl)carbamate
Also Known As: 2,2,2-trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate, AI-204/31678026, 2,2,2-trichloroethyl N-(5-nitro-1,3-thiazol-2-yl)carbamate
| Molecular Formula | C6H4Cl3N3O4S |
|---|---|
| Molecular Weight | 318.90 g/mol |
| LogP | 2.97 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.8988 |
| Heavy Atoms | 17 |
| Complexity | 432.38528 |
Chemical Identifiers
| CAS Number | 353255-52-4 |
|---|---|
| SMILES | C1=C(SC(=N1)NC(=O)OCC(Cl)(Cl)Cl)[N+](=O)[O-] |
Product Overview
2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate (CAS 353255-52-4), with molecular formula C6H4Cl3N3O4S and molecular weight 318.90 g/mol. IUPAC: 2,2,2-trichloroethyl N-(5-nitro-1,3-thiazol-2-yl)carbamate.
Chemical Property Profile of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate
Property Insights of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate
The XLogP value of 2.97 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate. Following Lipinski's Rule of Five, 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate has 1 hydrogen bond donor(s) and 6 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 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate?
The CAS number of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate is 353255-52-4.
What is the molecular formula of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate?
The molecular formula of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate is C6H4Cl3N3O4S.
What is the molecular weight of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate?
The molecular weight of 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate is 318.90 g/mol.
Where can I buy 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate?
You can request a quote for 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloroethyl 5-nitro-1,3-thiazol-2-ylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.