1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide
TL;DR: 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide (CAS 71503-85-0) is a chemical compound with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide
Also Known As: 1,2,4-benzotriazine, 3-methyl-, 1,4-dioxide, 3-Methyl-1,2,4-benzotriazine 1,4-dioxide, 3-Methyl-1,4-benzotriazine 1,4-dioxide, 3-methyl 1,2,4-benzotriazine 1,4-dioxide, J1.842.022H
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 58.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 71503-85-0 |
|---|---|
| SMILES | CC1=NN(C2=CC=CC=C2[N+]1=O)[O-] |
| InChIKey | MKBFUWNOXMDMCG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide (CAS 71503-85-0), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 3-methyl-1-oxido-1,2,4-benzotriazin-4-ium 4-oxide.
Chemical Property Profile of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide
Property Insights of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide. With a topological polar surface area (TPSA) of 58.7 Ų, 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide has 0 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 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide?
The CAS number of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide is 71503-85-0.
What is the molecular formula of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide?
The molecular formula of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide is C8H7N3O2.
What is the molecular weight of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide?
The molecular weight of 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide is 177.05 g/mol.
Where can I buy 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide?
You can request a quote for 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide 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-Benzotriazine, 3-methyl-, 1,4-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Benzotriazine, 3-methyl-, 1,4-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.