3-Amino-7-chloro-1,2,4-benzotriazine
TL;DR: 3-Amino-7-chloro-1,2,4-benzotriazine (CAS 5423-53-0) is a chemical compound with molecular formula C7H5ClN4 and molecular weight 180.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1,2,4-benzotriazin-3-amine
Also Known As: 3-Amino-7-chloro-1,2,4-benzotriazine, 7-chloro-1,2,4-benzotriazin-3-amine, LEADIVPROPIONATE, 3-Amino-7-chloro-124-benzotriazine, 1,2,4-Benzotriazine, 3-amino-7-chloro-
| Molecular Formula | C7H5ClN4 |
|---|---|
| Molecular Weight | 180.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 180.02028 |
| Heavy Atoms | 12 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 5423-53-0 |
|---|---|
| SMILES | C1=CC2=C(C=C1Cl)N=NC(=N2)N |
| InChIKey | KTIMFFFWQOYBMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-7-chloro-1,2,4-benzotriazine (CAS 5423-53-0), with molecular formula C7H5ClN4 and molecular weight 180.02 g/mol. IUPAC: 7-chloro-1,2,4-benzotriazin-3-amine.
Chemical Property Profile of 3-Amino-7-chloro-1,2,4-benzotriazine
Property Insights of 3-Amino-7-chloro-1,2,4-benzotriazine
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-7-chloro-1,2,4-benzotriazine. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-7-chloro-1,2,4-benzotriazine. Following Lipinski's Rule of Five, 3-Amino-7-chloro-1,2,4-benzotriazine 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 3-Amino-7-chloro-1,2,4-benzotriazine?
The CAS number of 3-Amino-7-chloro-1,2,4-benzotriazine is 5423-53-0.
What is the molecular formula of 3-Amino-7-chloro-1,2,4-benzotriazine?
The molecular formula of 3-Amino-7-chloro-1,2,4-benzotriazine is C7H5ClN4.
What is the molecular weight of 3-Amino-7-chloro-1,2,4-benzotriazine?
The molecular weight of 3-Amino-7-chloro-1,2,4-benzotriazine is 180.02 g/mol.
Where can I buy 3-Amino-7-chloro-1,2,4-benzotriazine?
You can request a quote for 3-Amino-7-chloro-1,2,4-benzotriazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-7-chloro-1,2,4-benzotriazine?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-7-chloro-1,2,4-benzotriazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.