3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one
TL;DR: 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one (CAS 15561-76-9) is a chemical compound with molecular formula C15H13N3O and molecular weight 251.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-phenylethyl)-1,2,3-benzotriazin-4-one
Also Known As: 3-(2-phenylethyl)-1,2,3-benzotriazin-4-one, KST-1B0701, 3-phenethyl-1,2,3-benzotriazin-4-one, 1,2,3-benzotriazin-4(3h)-one, 3-(2-phenylethyl)-, 3-(2-phenylethyl)-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C15H13N3O |
|---|---|
| Molecular Weight | 251.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 45.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.10587 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 15561-76-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)C3=CC=CC=C3N=N2 |
| InChIKey | LNSOYWFCGVLLTC-UHFFFAOYSA-N |
Product Overview
3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one (CAS 15561-76-9), with molecular formula C15H13N3O and molecular weight 251.11 g/mol. IUPAC: 3-(2-phenylethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one
Property Insights of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one. With a topological polar surface area (TPSA) of 45.0 Ų, 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(2-Phenylethyl)-1,2,3-benzotriazin-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-(2-Phenylethyl)-1,2,3-benzotriazin-4-one?
The CAS number of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one is 15561-76-9.
What is the molecular formula of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one?
The molecular formula of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one is C15H13N3O.
What is the molecular weight of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one?
The molecular weight of 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one is 251.11 g/mol.
Where can I buy 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one?
You can request a quote for 3-(2-Phenylethyl)-1,2,3-benzotriazin-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-(2-Phenylethyl)-1,2,3-benzotriazin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Phenylethyl)-1,2,3-benzotriazin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.