3-Chloro-7-nitro-1,2-benzisothiazole
TL;DR: 3-Chloro-7-nitro-1,2-benzisothiazole (CAS 41533-75-9) is a chemical compound with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-7-nitro-1,2-benzothiazole
Also Known As: 3-Chloro-7-nitro-1,2-benzisothiazole, Pentamethylcyclopentadiene, 3-chloro-7-nitro-1,2-benzothiazole, 1,2-Benzisothiazole, 3-chloro-7-nitro-, BRN 1112590
| Molecular Formula | C7H3ClN2O2S |
|---|---|
| Molecular Weight | 213.96 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 213.96037 |
| Heavy Atoms | 13 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 41533-75-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)[N+](=O)[O-])SN=C2Cl |
| InChIKey | FEDMYSJHEMCIBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-7-nitro-1,2-benzisothiazole (CAS 41533-75-9), with molecular formula C7H3ClN2O2S and molecular weight 213.96 g/mol. IUPAC: 3-chloro-7-nitro-1,2-benzothiazole.
Chemical Property Profile of 3-Chloro-7-nitro-1,2-benzisothiazole
Property Insights of 3-Chloro-7-nitro-1,2-benzisothiazole
The XLogP value of 3.1 indicates that 3-Chloro-7-nitro-1,2-benzisothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Chloro-7-nitro-1,2-benzisothiazole. Following Lipinski's Rule of Five, 3-Chloro-7-nitro-1,2-benzisothiazole has 0 hydrogen bond donor(s) and 4 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 3-Chloro-7-nitro-1,2-benzisothiazole?
The CAS number of 3-Chloro-7-nitro-1,2-benzisothiazole is 41533-75-9.
What is the molecular formula of 3-Chloro-7-nitro-1,2-benzisothiazole?
The molecular formula of 3-Chloro-7-nitro-1,2-benzisothiazole is C7H3ClN2O2S.
What is the molecular weight of 3-Chloro-7-nitro-1,2-benzisothiazole?
The molecular weight of 3-Chloro-7-nitro-1,2-benzisothiazole is 213.96 g/mol.
Where can I buy 3-Chloro-7-nitro-1,2-benzisothiazole?
You can request a quote for 3-Chloro-7-nitro-1,2-benzisothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-7-nitro-1,2-benzisothiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-7-nitro-1,2-benzisothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.