1,2,4-Benzotriazene
TL;DR: 1,2,4-Benzotriazene (CAS 254-87-5) is a chemical compound with molecular formula C7H5N3 and molecular weight 131.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-benzotriazine
Also Known As: 1,2,4-Benzotriazine, 1,2,4-Benzotriazene, 1,2,4-triazanaphthalene, 1,4-Benzotriazine, benzo[e]1,2,4-triazine
| Molecular Formula | C7H5N3 |
|---|---|
| Molecular Weight | 131.05 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 131.04834 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 254-87-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CN=N2 |
| InChIKey | GDAXJBDYNVDMDF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzotriazene (CAS 254-87-5), with molecular formula C7H5N3 and molecular weight 131.05 g/mol. IUPAC: 1,2,4-benzotriazine.
Chemical Property Profile of 1,2,4-Benzotriazene
Property Insights of 1,2,4-Benzotriazene
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzotriazene. With a topological polar surface area (TPSA) of 38.7 Ų, 1,2,4-Benzotriazene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Benzotriazene has 0 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 1,2,4-Benzotriazene?
The CAS number of 1,2,4-Benzotriazene is 254-87-5.
What is the molecular formula of 1,2,4-Benzotriazene?
The molecular formula of 1,2,4-Benzotriazene is C7H5N3.
What is the molecular weight of 1,2,4-Benzotriazene?
The molecular weight of 1,2,4-Benzotriazene is 131.05 g/mol.
Where can I buy 1,2,4-Benzotriazene?
You can request a quote for 1,2,4-Benzotriazene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Benzotriazene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.