methanone structure](/static/products/4391/439109-00-9.webp)
[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone
TL;DR: [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone (CAS 439109-00-9) is a chemical compound with molecular formula C16H11ClFN3O and molecular weight 315.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-methylphenyl)methanone
Also Known As: [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone|KS-00001X0G|1-(3-chloro-4-fluorophenyl)-4-(4-methylbenzoyl)-1H-1,2,3-triazole|[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-methylphenyl)methanone|[1-(3-chloro-4-fluoro-phenyl)triazol-4-yl]-(p-tolyl)methanone|1-(3-chloro-4-fluorophenyl)-4-(4-methylbenzoyl)-1,2,3-triazole|MFCD03012730|SMR000180137|MLS000546939
| Molecular Formula | C16H11ClFN3O |
|---|---|
| Molecular Weight | 315.06 g/mol |
| LogP | 3.59922 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.05746 |
| Heavy Atoms | 22 |
| Complexity | 842.8522 |
Chemical Identifiers
| CAS Number | 439109-00-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CN(N=N2)C3=CC(=C(C=C3)F)Cl |
Product Overview
[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone (CAS 439109-00-9), with molecular formula C16H11ClFN3O and molecular weight 315.06 g/mol. IUPAC: [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone
Property Insights of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone
The XLogP value of 3.59922 indicates that [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.78 Ų, [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone 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-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone?
The CAS number of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone is 439109-00-9.
What is the molecular formula of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone?
The molecular formula of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone is C16H11ClFN3O.
What is the molecular weight of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone?
The molecular weight of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone is 315.06 g/mol.
Where can I buy [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone?
You can request a quote for [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl](4-methylphenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.