4-Amino-5-chloro-2,1,3-benzothiadiazole
TL;DR: 4-Amino-5-chloro-2,1,3-benzothiadiazole (CAS 89282-64-4) is a chemical compound with molecular formula C6H4ClN3S and molecular weight 184.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-2,1,3-benzothiadiazol-4-amine
Also Known As: 4-Amino-5-chloro-2,1,3-benzothiadiazole, 5-chloro-2,1,3-benzothiadiazol-4-amine, 5-Chlorobenzo[c][1,2,5]thiadiazol-4-amine, Tizanidine EP Impurity E, Tizanidine Impurity A
| Molecular Formula | C6H4ClN3S |
|---|---|
| Molecular Weight | 184.98 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 184.98145 |
| Heavy Atoms | 11 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 89282-64-4 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1Cl)N |
| InChIKey | MURNIACGGUSMAP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-5-chloro-2,1,3-benzothiadiazole (CAS 89282-64-4), with molecular formula C6H4ClN3S and molecular weight 184.98 g/mol. IUPAC: 5-chloro-2,1,3-benzothiadiazol-4-amine.
Chemical Property Profile of 4-Amino-5-chloro-2,1,3-benzothiadiazole
Property Insights of 4-Amino-5-chloro-2,1,3-benzothiadiazole
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-chloro-2,1,3-benzothiadiazole. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-chloro-2,1,3-benzothiadiazole. Following Lipinski's Rule of Five, 4-Amino-5-chloro-2,1,3-benzothiadiazole has 1 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 4-Amino-5-chloro-2,1,3-benzothiadiazole?
The CAS number of 4-Amino-5-chloro-2,1,3-benzothiadiazole is 89282-64-4.
What is the molecular formula of 4-Amino-5-chloro-2,1,3-benzothiadiazole?
The molecular formula of 4-Amino-5-chloro-2,1,3-benzothiadiazole is C6H4ClN3S.
What is the molecular weight of 4-Amino-5-chloro-2,1,3-benzothiadiazole?
The molecular weight of 4-Amino-5-chloro-2,1,3-benzothiadiazole is 184.98 g/mol.
Where can I buy 4-Amino-5-chloro-2,1,3-benzothiadiazole?
You can request a quote for 4-Amino-5-chloro-2,1,3-benzothiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-5-chloro-2,1,3-benzothiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-chloro-2,1,3-benzothiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.