Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-
TL;DR: Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- (CAS 3311-98-6) is a chemical compound with molecular formula C6H7ClN4O3S and molecular weight 249.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-chloroethyl)-3-(5-nitro-1,3-thiazol-2-yl)urea
Also Known As: Ba 30515, N-(2-Chloroethyl)-N'-(5-nitro-2-thiazolyl)urea, Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-, 1-(2-chloroethyl)-3-(5-nitro-1,3-thiazol-2-yl)urea, Urea, 1-(2-chloroethyl)-3-(5-nitro-2-thiazolyl)-
| Molecular Formula | C6H7ClN4O3S |
|---|---|
| Molecular Weight | 249.99 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 128.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 249.99274 |
| Heavy Atoms | 15 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 3311-98-6 |
|---|---|
| SMILES | C1=C(SC(=N1)NC(=O)NCCCl)[N+](=O)[O-] |
| InChIKey | DDSHNCNZUCXDDV-UHFFFAOYSA-N |
Product Overview
Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- (CAS 3311-98-6), with molecular formula C6H7ClN4O3S and molecular weight 249.99 g/mol. IUPAC: 1-(2-chloroethyl)-3-(5-nitro-1,3-thiazol-2-yl)urea.
Chemical Property Profile of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-
Property Insights of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-. The TPSA of 128.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-. Following Lipinski's Rule of Five, Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- 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 Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-?
The CAS number of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- is 3311-98-6.
What is the molecular formula of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-?
The molecular formula of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- is C6H7ClN4O3S.
What is the molecular weight of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-?
The molecular weight of Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- is 249.99 g/mol.
Where can I buy Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-?
You can request a quote for Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)-?
Yes, KEHONG BIO provides custom synthesis services for Urea, N-(2-chloroethyl)-N'-(5-nitro-2-thiazolyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.