2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one
TL;DR: 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one (CAS 127876-39-5) is a chemical compound with molecular formula C20H15N3O and molecular weight 313.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone
Also Known As: starbld0003542, 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one, 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone, BAS 00649271, J3.411.896E
| Molecular Formula | C20H15N3O |
|---|---|
| Molecular Weight | 313.12 g/mol |
| LogP | 3.9812 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 313.12152 |
| Heavy Atoms | 24 |
| Complexity | 988.2705 |
Chemical Identifiers
| CAS Number | 127876-39-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C4=CC=CC=C4N=N3 |
Product Overview
2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one (CAS 127876-39-5), with molecular formula C20H15N3O and molecular weight 313.12 g/mol. IUPAC: 2-(benzotriazol-1-yl)-1-(4-phenylphenyl)ethanone.
Chemical Property Profile of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one
Property Insights of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one
The XLogP value of 3.9812 indicates that 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-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 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one?
The CAS number of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one is 127876-39-5.
What is the molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one?
The molecular formula of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one is C20H15N3O.
What is the molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one?
The molecular weight of 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one is 313.12 g/mol.
Where can I buy 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one?
You can request a quote for 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-phenylphenyl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.