3-Chloromethyl-1,2,3-benzotriaz-4-one
TL;DR: 3-Chloromethyl-1,2,3-benzotriaz-4-one (CAS 24310-41-6) is a chemical compound with molecular formula C8H6ClN3O and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(chloromethyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(Chloromethyl)-1,2,3-benzotriazin-4(3H)-one, DSSTox_CID_7830, 3-(Chloromethyl)benzo[d][1,2,3]triazin-4(3H)-one, 3-Chloromethyl-1,2,3-benzotriaz-4-one, 3-(chloromethyl)-1,2,3-benzotriazin-4-one
| Molecular Formula | C8H6ClN3O |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 195.01994 |
| Heavy Atoms | 13 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 24310-41-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(N=N2)CCl |
| InChIKey | DIBUQPIFKGWZDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloromethyl-1,2,3-benzotriaz-4-one (CAS 24310-41-6), with molecular formula C8H6ClN3O and molecular weight 195.02 g/mol. IUPAC: 3-(chloromethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-Chloromethyl-1,2,3-benzotriaz-4-one
Property Insights of 3-Chloromethyl-1,2,3-benzotriaz-4-one
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloromethyl-1,2,3-benzotriaz-4-one. With a topological polar surface area (TPSA) of 45.0 Ų, 3-Chloromethyl-1,2,3-benzotriaz-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloromethyl-1,2,3-benzotriaz-4-one has 0 hydrogen bond donor(s) and 3 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-Chloromethyl-1,2,3-benzotriaz-4-one?
The CAS number of 3-Chloromethyl-1,2,3-benzotriaz-4-one is 24310-41-6.
What is the molecular formula of 3-Chloromethyl-1,2,3-benzotriaz-4-one?
The molecular formula of 3-Chloromethyl-1,2,3-benzotriaz-4-one is C8H6ClN3O.
What is the molecular weight of 3-Chloromethyl-1,2,3-benzotriaz-4-one?
The molecular weight of 3-Chloromethyl-1,2,3-benzotriaz-4-one is 195.02 g/mol.
Where can I buy 3-Chloromethyl-1,2,3-benzotriaz-4-one?
You can request a quote for 3-Chloromethyl-1,2,3-benzotriaz-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloromethyl-1,2,3-benzotriaz-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloromethyl-1,2,3-benzotriaz-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.