7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
TL;DR: 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine (CAS 18671-92-6) is a chemical compound with molecular formula C7H7ClN4O and molecular weight 198.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
Also Known As: 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine, 3-amino-7-chloro-7H-1,2,4-benzotriazin-1-ol, 3-AMINO-7-CHLORO-1,2,4-BENZOTRIAZINE-1-OXIDE, 7-Chloro-3-imino-3,7-dihydro-1,2,4-benzotriazin-1(2H)-ol
| Molecular Formula | C7H7ClN4O |
|---|---|
| Molecular Weight | 198.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 74.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.03084 |
| Heavy Atoms | 13 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 18671-92-6 |
|---|---|
| SMILES | C1=CC2=NC(=NN(C2=CC1Cl)O)N |
| InChIKey | ZJKFNVVXCAISOQ-UHFFFAOYSA-N |
Product Overview
7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine (CAS 18671-92-6), with molecular formula C7H7ClN4O and molecular weight 198.03 g/mol. IUPAC: 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine.
Chemical Property Profile of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
Property Insights of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine. The TPSA of 74.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine. Following Lipinski's Rule of Five, 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine has 2 hydrogen bond donor(s) and 3 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-1-hydroxy-7H-1,2,4-benzotriazin-3-amine?
The CAS number of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine is 18671-92-6.
What is the molecular formula of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine?
The molecular formula of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine is C7H7ClN4O.
What is the molecular weight of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine?
The molecular weight of 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine is 198.03 g/mol.
Where can I buy 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine?
You can request a quote for 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 7-chloro-1-hydroxy-7H-1,2,4-benzotriazin-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.