7-Chloro-3-hydroxy-1,2,4-benzotriazine
TL;DR: 7-Chloro-3-hydroxy-1,2,4-benzotriazine (CAS 18671-93-7) is a chemical compound with molecular formula C7H4ClN3O and molecular weight 181.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-2H-1,2,4-benzotriazin-3-one
Also Known As: 7-Chloro-1,2,4-benzotriazin-3-ol, 7-Chloro-1,2,4-benzotriazin-3-ol #, 7-chloro-2H-1,2,4-benzotriazin-3-one, 7-Chloro-3-hydroxy-1,2,4-benzotriazine, 1,2,4-Benzotriazin-3(4H)-one, 7-chloro-
| Molecular Formula | C7H4ClN3O |
|---|---|
| Molecular Weight | 181.00 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 53.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 181.00429 |
| Heavy Atoms | 12 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 18671-93-7 |
|---|---|
| SMILES | C1=CC2=NC(=O)NN=C2C=C1Cl |
| InChIKey | VKESQPHCPKBZAV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Chloro-3-hydroxy-1,2,4-benzotriazine (CAS 18671-93-7), with molecular formula C7H4ClN3O and molecular weight 181.00 g/mol. IUPAC: 7-chloro-2H-1,2,4-benzotriazin-3-one.
Chemical Property Profile of 7-Chloro-3-hydroxy-1,2,4-benzotriazine
Property Insights of 7-Chloro-3-hydroxy-1,2,4-benzotriazine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Chloro-3-hydroxy-1,2,4-benzotriazine. With a topological polar surface area (TPSA) of 53.8 Ų, 7-Chloro-3-hydroxy-1,2,4-benzotriazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Chloro-3-hydroxy-1,2,4-benzotriazine has 1 hydrogen bond donor(s) and 2 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 7-Chloro-3-hydroxy-1,2,4-benzotriazine?
The CAS number of 7-Chloro-3-hydroxy-1,2,4-benzotriazine is 18671-93-7.
What is the molecular formula of 7-Chloro-3-hydroxy-1,2,4-benzotriazine?
The molecular formula of 7-Chloro-3-hydroxy-1,2,4-benzotriazine is C7H4ClN3O.
What is the molecular weight of 7-Chloro-3-hydroxy-1,2,4-benzotriazine?
The molecular weight of 7-Chloro-3-hydroxy-1,2,4-benzotriazine is 181.00 g/mol.
Where can I buy 7-Chloro-3-hydroxy-1,2,4-benzotriazine?
You can request a quote for 7-Chloro-3-hydroxy-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 7-Chloro-3-hydroxy-1,2,4-benzotriazine?
Yes, KEHONG BIO provides custom synthesis services for 7-Chloro-3-hydroxy-1,2,4-benzotriazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.