2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole
TL;DR: 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole (CAS 313496-35-4) is a chemical compound with molecular formula C13H7ClN2O4S2 and molecular weight 353.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole
Also Known As: BAS 00327270, 2-(2-chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole, AB00074899-01, 2-[(2-chloro-4-nitrophenyl)sulfonyl]-1,3-benzothiazole, 2-(2-Chloro-4-nitro-benzenesulfonyl)-benzothiazole
| Molecular Formula | C13H7ClN2O4S2 |
|---|---|
| Molecular Weight | 353.95 g/mol |
| LogP | 3.6907 |
| Topological Polar Surface Area | 90.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 353.95358 |
| Heavy Atoms | 22 |
| Complexity | 965.1977 |
Chemical Identifiers
| CAS Number | 313496-35-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)S(=O)(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl |
Product Overview
2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole (CAS 313496-35-4), with molecular formula C13H7ClN2O4S2 and molecular weight 353.95 g/mol. IUPAC: 2-(2-chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole.
Chemical Property Profile of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole
Property Insights of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole
The XLogP value of 3.6907 indicates that 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole. Following Lipinski's Rule of Five, 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole has 0 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-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole?
The CAS number of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole is 313496-35-4.
What is the molecular formula of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole?
The molecular formula of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole is C13H7ClN2O4S2.
What is the molecular weight of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole?
The molecular weight of 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole is 353.95 g/mol.
Where can I buy 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole?
You can request a quote for 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-4-nitrophenyl)sulfonyl-1,3-benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.