3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one (CAS 24310-40-5) 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-(hydroxymethyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one, ChemDiv2_004236, 3-Hydroxymethyl-1,2,3-benzotriazine-4-one, 3-(hydroxymethyl)-1,2,3-benzotriazin-4-one, 3-Hydroxymethyl-3H-benzo[d][1,2,3]triazin-4-one
| Molecular Formula | C8H7N3O2 |
|---|---|
| Molecular Weight | 177.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.05383 |
| Heavy Atoms | 13 |
| Complexity | 242.0 |
Chemical Identifiers
| CAS Number | 24310-40-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CO |
| InChIKey | UAFIMNGKLCAYCN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one (CAS 24310-40-5), with molecular formula C8H7N3O2 and molecular weight 177.05 g/mol. IUPAC: 3-(hydroxymethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one. Following Lipinski's Rule of Five, 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one 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-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one is 24310-40-5.
What is the molecular formula of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one is C8H7N3O2.
What is the molecular weight of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one is 177.05 g/mol.
Where can I buy 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hydroxymethyl)-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.