(2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate
TL;DR: (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate (CAS 672949-95-0) is a chemical compound with molecular formula C11H8ClN3O4S and molecular weight 312.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate
Also Known As: (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate, 5R-0668, (2-chlorothiazol-5-yl)methyl N-(4-nitrophenyl)carbamate, (2-chloro-1,3-thiazol-5-yl)methylN-(4-nitrophenyl)carbamate
| Molecular Formula | C11H8ClN3O4S |
|---|---|
| Molecular Weight | 312.99 g/mol |
| LogP | 3.4534 |
| Topological Polar Surface Area | 94.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 312.9924 |
| Heavy Atoms | 20 |
| Complexity | 628.8534 |
Chemical Identifiers
| CAS Number | 672949-95-0 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)OCC2=CN=C(S2)Cl)[N+](=O)[O-] |
Product Overview
(2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate (CAS 672949-95-0), with molecular formula C11H8ClN3O4S and molecular weight 312.99 g/mol. IUPAC: (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate.
Chemical Property Profile of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate
Property Insights of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate
The XLogP value of 3.4534 indicates that (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate. Following Lipinski's Rule of Five, (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate 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-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate?
The CAS number of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate is 672949-95-0.
What is the molecular formula of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate?
The molecular formula of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate is C11H8ClN3O4S.
What is the molecular weight of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate?
The molecular weight of (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate is 312.99 g/mol.
Where can I buy (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate?
You can request a quote for (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for (2-chloro-1,3-thiazol-5-yl)methyl N-(4-nitrophenyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.