3-Benzyl-1,2,3-benzotriazin-4(3H)-one
TL;DR: 3-Benzyl-1,2,3-benzotriazin-4(3H)-one (CAS 15561-72-5) is a chemical compound with molecular formula C14H11N3O and molecular weight 237.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-1,2,3-benzotriazin-4-one
Also Known As: 3-Benzyl-benzotriazin-4-one, 3-Benzyl-1,2,3-benzotriazin-4(3H)-one, 3-benzyl-1,2,3-benzotriazin-4-one, 3-benzylbenzo[d]1,2,3-triazin-4-one, BAS 07130033
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 15561-72-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | WKEMRZGWOVHUQI-UHFFFAOYSA-N |
Product Overview
3-Benzyl-1,2,3-benzotriazin-4(3H)-one (CAS 15561-72-5), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: 3-benzyl-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one
Property Insights of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzyl-1,2,3-benzotriazin-4(3H)-one. With a topological polar surface area (TPSA) of 45.0 Ų, 3-Benzyl-1,2,3-benzotriazin-4(3H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzyl-1,2,3-benzotriazin-4(3H)-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-Benzyl-1,2,3-benzotriazin-4(3H)-one?
The CAS number of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one is 15561-72-5.
What is the molecular formula of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one?
The molecular formula of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one is C14H11N3O.
What is the molecular weight of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one?
The molecular weight of 3-Benzyl-1,2,3-benzotriazin-4(3H)-one is 237.09 g/mol.
Where can I buy 3-Benzyl-1,2,3-benzotriazin-4(3H)-one?
You can request a quote for 3-Benzyl-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-Benzyl-1,2,3-benzotriazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzyl-1,2,3-benzotriazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.