3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide
TL;DR: 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide (CAS 27281-74-9) is a chemical compound with molecular formula C8H8N4O and molecular weight 176.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Also Known As: 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide, 3-Amino-7-methyl-1,2,4-benzotriazin-1-ium-1-olate, 7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine, 1,2,4-Benzotriazin-3-amine,7-methyl-, 1-oxide, 7-Methyl-1,2,4-benzotriazin-3-amine 1-oxide
| Molecular Formula | C8H8N4O |
|---|---|
| Molecular Weight | 176.07 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.06981 |
| Heavy Atoms | 13 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 27281-74-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(N=[N+]2[O-])N |
| InChIKey | YXSUQKGKNZZCMV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide (CAS 27281-74-9), with molecular formula C8H8N4O and molecular weight 176.07 g/mol. IUPAC: 7-methyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine.
Chemical Property Profile of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide
Property Insights of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide. Following Lipinski's Rule of Five, 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide 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-7-methyl-1,2,4-benzotriazine-1-oxide?
The CAS number of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide is 27281-74-9.
What is the molecular formula of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide?
The molecular formula of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide is C8H8N4O.
What is the molecular weight of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide?
The molecular weight of 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide is 176.07 g/mol.
Where can I buy 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide?
You can request a quote for 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-7-methyl-1,2,4-benzotriazine-1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.