![[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone structure](/static/products/866/866135-70-8.png)
[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone
TL;DR: [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone (CAS 866135-70-8) is a chemical compound with molecular formula C20H19ClFN5O and molecular weight 399.13 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-(4-methylpiperazin-1-yl)phenyl]methanone
Also Known As: [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone|KS-0000202F|[1-(3-chloro-4-fluorophenyl)triazol-4-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone|1-{4-[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4-carbonyl]phenyl}-4-methylpiperazine|[1-(3-chloro-4-fluoro-phenyl)triazol-4-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone|1-(3-Chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl4-(4-methylpiperazino)phenylmethanone|1-{4-[1-(3-chloro-4-fluorophenyl)-1,2,3-triazole-4-carbonyl]phenyl}-4-methylpiperazine|MFCD05256304|C20H19ClFN5O|MLS000720775|SMR000336776
| Molecular Formula | C20H19ClFN5O |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 3.0426 |
| Topological Polar Surface Area | 54.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.12622 |
| Heavy Atoms | 28 |
| Complexity | 996.0856 |
Chemical Identifiers
| CAS Number | 866135-70-8 |
|---|---|
| SMILES | CN1CCN(CC1)C2=CC=C(C=C2)C(=O)C3=CN(N=N3)C4=CC(=C(C=C4)F)Cl |
Product Overview
[1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone (CAS 866135-70-8), with molecular formula C20H19ClFN5O and molecular weight 399.13 g/mol. IUPAC: [1-(3-chloro-4-fluorophenyl)triazol-4-yl]-[4-(4-methylpiperazin-1-yl)phenyl]methanone.
Chemical Property Profile of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone
Property Insights of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone
The XLogP value of 3.0426 indicates that [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.26 Ų, [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]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-(4-methylpiperazino)phenyl]methanone has 0 hydrogen bond donor(s) and 5 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-(4-methylpiperazino)phenyl]methanone?
The CAS number of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone is 866135-70-8.
What is the molecular formula of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone?
The molecular formula of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone is C20H19ClFN5O.
What is the molecular weight of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone?
The molecular weight of [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone is 399.13 g/mol.
Where can I buy [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone?
You can request a quote for [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]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-(4-methylpiperazino)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for [1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazol-4-yl][4-(4-methylpiperazino)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.