3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol
TL;DR: 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol (CAS 85010-39-5) is a chemical compound with molecular formula C8H9N3O and molecular weight 163.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4H-1,2,3-benzotriazin-4-ol
Also Known As: 3-methyl-4H-1,2,3-benzotriazin-4-ol, 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol, 1,2,3-BENZOTRIAZIN-4-OL,3,4-DIHYDRO-3-METHYL-, RefChem:280824
| Molecular Formula | C8H9N3O |
|---|---|
| Molecular Weight | 163.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 48.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.07455 |
| Heavy Atoms | 12 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 85010-39-5 |
|---|---|
| SMILES | CN1C(C2=CC=CC=C2N=N1)O |
| InChIKey | ZPNMVOMIAKRGGI-UHFFFAOYSA-N |
Product Overview
3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol (CAS 85010-39-5), with molecular formula C8H9N3O and molecular weight 163.07 g/mol. IUPAC: 3-methyl-4H-1,2,3-benzotriazin-4-ol.
Chemical Property Profile of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol
Property Insights of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol. With a topological polar surface area (TPSA) of 48.2 Ų, 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol 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-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol?
The CAS number of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol is 85010-39-5.
What is the molecular formula of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol?
The molecular formula of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol is C8H9N3O.
What is the molecular weight of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol?
The molecular weight of 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol is 163.07 g/mol.
Where can I buy 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol?
You can request a quote for 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-3,4-dihydro-1,2,3-benzotriazin-4-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.