3-Amino-1,2,3-benzotriazin-4-one
TL;DR: 3-Amino-1,2,3-benzotriazin-4-one (CAS 41225-81-4) is a chemical compound with molecular formula C7H6N4O and molecular weight 162.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-1,2,3-benzotriazin-4-one
Also Known As: 3-amino-1,2,3-benzotriazin-4-one, 3-Amino-3H-benzo[d][1,2,3]triazin-4-one, 3-aminobenzo[d][1,2,3]triazin-4(3H)-one, Benzo-1,2,3-triazin-4 -one,3-amino-, Benzo-1,2,3-triazin-4(3H)-one, 3-amino-
| Molecular Formula | C7H6N4O |
|---|---|
| Molecular Weight | 162.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 162.05415 |
| Heavy Atoms | 12 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 41225-81-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)N |
| InChIKey | MGZUQDHNBYYFGF-UHFFFAOYSA-N |
Product Overview
3-Amino-1,2,3-benzotriazin-4-one (CAS 41225-81-4), with molecular formula C7H6N4O and molecular weight 162.05 g/mol. IUPAC: 3-amino-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-Amino-1,2,3-benzotriazin-4-one
Property Insights of 3-Amino-1,2,3-benzotriazin-4-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-1,2,3-benzotriazin-4-one. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-1,2,3-benzotriazin-4-one. Following Lipinski's Rule of Five, 3-Amino-1,2,3-benzotriazin-4-one 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-1,2,3-benzotriazin-4-one?
The CAS number of 3-Amino-1,2,3-benzotriazin-4-one is 41225-81-4.
What is the molecular formula of 3-Amino-1,2,3-benzotriazin-4-one?
The molecular formula of 3-Amino-1,2,3-benzotriazin-4-one is C7H6N4O.
What is the molecular weight of 3-Amino-1,2,3-benzotriazin-4-one?
The molecular weight of 3-Amino-1,2,3-benzotriazin-4-one is 162.05 g/mol.
Where can I buy 3-Amino-1,2,3-benzotriazin-4-one?
You can request a quote for 3-Amino-1,2,3-benzotriazin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-1,2,3-benzotriazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-1,2,3-benzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.