2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone
TL;DR: 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone (CAS 124041-74-3) is a chemical compound with molecular formula C14H10ClN3O and molecular weight 271.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone
Also Known As: 2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone, 2-(1H-1,2,3-Benzotriazol-1-yl)-1-(4-chlorophenyl)ethan-1-one, BAS 00315933, J1.223.247K, 2-benzotriazolyl-1-(4-chlorophenyl)ethan-1-one
| Molecular Formula | C14H10ClN3O |
|---|---|
| Molecular Weight | 271.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 271.05124 |
| Heavy Atoms | 19 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 124041-74-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=NN2CC(=O)C3=CC=C(C=C3)Cl |
| InChIKey | MNHUQWLYQCWPDS-UHFFFAOYSA-N |
Product Overview
2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone (CAS 124041-74-3), with molecular formula C14H10ClN3O and molecular weight 271.05 g/mol. IUPAC: 2-(benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone.
Chemical Property Profile of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone
Property Insights of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone
The XLogP value of 3.4 indicates that 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.8 Ų, 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone 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-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone?
The CAS number of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone is 124041-74-3.
What is the molecular formula of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone?
The molecular formula of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone is C14H10ClN3O.
What is the molecular weight of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone?
The molecular weight of 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone is 271.05 g/mol.
Where can I buy 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone?
You can request a quote for 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzotriazol-1-yl)-1-(4-chlorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.