1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
TL;DR: 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 58905-19-4) is a chemical compound with molecular formula C10H8ClN3O and molecular weight 221.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
Also Known As: Bionet2_001558, 1-(4-chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one, 1- -2- -ETHANONE, 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)-ethanone, 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone
| Molecular Formula | C10H8ClN3O |
|---|---|
| Molecular Weight | 221.04 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 47.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 221.03558 |
| Heavy Atoms | 15 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 58905-19-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CN2C=NC=N2)Cl |
| InChIKey | ZDGXDQYBMSMZLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one (CAS 58905-19-4), with molecular formula C10H8ClN3O and molecular weight 221.04 g/mol. IUPAC: 1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanone.
Chemical Property Profile of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
Property Insights of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one. With a topological polar surface area (TPSA) of 47.8 Ų, 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)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 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The CAS number of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is 58905-19-4.
What is the molecular formula of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular formula of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is C10H8ClN3O.
What is the molecular weight of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
The molecular weight of 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one is 221.04 g/mol.
Where can I buy 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
You can request a quote for 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)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 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Chlorophenyl)-2-(1H-1,2,4-triazol-1-yl)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.