1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one
TL;DR: 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one (CAS 30516-21-3) 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.
1-(benzotriazol-1-yl)-2-phenylethanone
Also Known As: 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one, 1-(Phenylacetyl)-1H-benzotriazole, 1-(benzotriazol-1-yl)-2-phenylethanone, Benzyl(1H-benzotriazol-1-yl) ketone, 1-benzotriazol-1-yl-2-phenyl-ethanone
| Molecular Formula | C14H11N3O |
|---|---|
| Molecular Weight | 237.09 g/mol |
| LogP | 2.3142 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 237.09021 |
| Heavy Atoms | 18 |
| Complexity | 688.34033 |
Chemical Identifiers
| CAS Number | 30516-21-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=O)N2C3=CC=CC=C3N=N2 |
Product Overview
1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one (CAS 30516-21-3), with molecular formula C14H11N3O and molecular weight 237.09 g/mol. IUPAC: 1-(benzotriazol-1-yl)-2-phenylethanone.
Chemical Property Profile of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one
Property Insights of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one
The XLogP value of 2.3142 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one. With a topological polar surface area (TPSA) of 47.78 Ų, 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-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 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one?
The CAS number of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one is 30516-21-3.
What is the molecular formula of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one?
The molecular formula of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one is C14H11N3O.
What is the molecular weight of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one?
The molecular weight of 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one is 237.09 g/mol.
Where can I buy 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one?
You can request a quote for 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(1H-Benzotriazol-1-yl)-2-phenylethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.