VU0605243-1
TL;DR: VU0605243-1 (CAS 885185-93-3) is a chemical compound with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfonylprop-2-enenitrile
Also Known As: VU0605243-1, F3225-7746, (E)-3-(4-(3-chlorophenyl)piperazin-1-yl)-2-((3,4-dimethylphenyl)sulfonyl)acrylonitrile, (2E)-3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-2-(3,4-DIMETHYLBENZENESULFONYL)PROP-2-ENENITRILE, (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C21H22ClN3O2S |
|---|---|
| Molecular Weight | 415.11 g/mol |
| LogP | 3.91772 |
| Topological Polar Surface Area | 64.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 415.11212 |
| Heavy Atoms | 28 |
| Complexity | 1049.5607 |
Chemical Identifiers
| CAS Number | 885185-93-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C3=CC(=CC=C3)Cl)/C#N)C |
Product Overview
VU0605243-1 (CAS 885185-93-3), with molecular formula C21H22ClN3O2S and molecular weight 415.11 g/mol. IUPAC: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethylphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of VU0605243-1
Property Insights of VU0605243-1
The XLogP value of 3.91772 indicates that VU0605243-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.41 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0605243-1. Following Lipinski's Rule of Five, VU0605243-1 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 VU0605243-1?
The CAS number of VU0605243-1 is 885185-93-3.
What is the molecular formula of VU0605243-1?
The molecular formula of VU0605243-1 is C21H22ClN3O2S.
What is the molecular weight of VU0605243-1?
The molecular weight of VU0605243-1 is 415.11 g/mol.
Where can I buy VU0605243-1?
You can request a quote for VU0605243-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605243-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605243-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.