6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
TL;DR: 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine (CAS 27238-37-5) is a chemical compound with molecular formula C9H10N4O and molecular weight 190.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Also Known As: NCI60_005347, 6,7-dimethyl-1,2,4-benzotriazin-3-amine 1-oxide, 6,7-dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine, 3-Amino-6,7-dimethyl-1.lambda.~5~,2,4-benzotriazin-1-ol
| Molecular Formula | C9H10N4O |
|---|---|
| Molecular Weight | 190.09 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 77.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 190.08546 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 27238-37-5 |
|---|---|
| SMILES | CC1=CC2=C(C=C1C)[N+](=NC(=N2)N)[O-] |
| InChIKey | YAPMVAUXOLBROP-UHFFFAOYSA-N |
Product Overview
6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine (CAS 27238-37-5), with molecular formula C9H10N4O and molecular weight 190.09 g/mol. IUPAC: 6,7-dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine.
Chemical Property Profile of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
Property Insights of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine. The TPSA of 77.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine. Following Lipinski's Rule of Five, 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine 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 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine?
The CAS number of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine is 27238-37-5.
What is the molecular formula of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine?
The molecular formula of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine is C9H10N4O.
What is the molecular weight of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine?
The molecular weight of 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine is 190.09 g/mol.
Where can I buy 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine?
You can request a quote for 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dimethyl-1-oxido-1,2,4-benzotriazin-1-ium-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.