VU0604862-1
TL;DR: VU0604862-1 (CAS 844648-52-8) is a chemical compound with molecular formula C24H27N5O2S and molecular weight 449.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
Also Known As: VU0604862-1, 2-((3,4-dimethylphenyl)sulfonyl)-2-(3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl)acetonitrile, (3,4-Dimethyl-benzenesulfonyl)-[3-(4-ethyl-piperazin-1-yl)-quinoxalin-2-yl]-acetonitrile, [(3,4-dimethylphenyl)sulfonyl][3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile, 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile
| Molecular Formula | C24H27N5O2S |
|---|---|
| Molecular Weight | 449.19 g/mol |
| LogP | 3.42712 |
| Topological Polar Surface Area | 90.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.18854 |
| Heavy Atoms | 32 |
| Complexity | 1291.4777 |
Chemical Identifiers
| CAS Number | 844648-52-8 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=NC3=CC=CC=C3N=C2C(C#N)S(=O)(=O)C4=CC(=C(C=C4)C)C |
Product Overview
VU0604862-1 (CAS 844648-52-8), with molecular formula C24H27N5O2S and molecular weight 449.19 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfonyl-2-[3-(4-ethylpiperazin-1-yl)quinoxalin-2-yl]acetonitrile.
Chemical Property Profile of VU0604862-1
Property Insights of VU0604862-1
The XLogP value of 3.42712 indicates that VU0604862-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.19 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0604862-1. Following Lipinski's Rule of Five, VU0604862-1 has 0 hydrogen bond donor(s) and 7 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 VU0604862-1?
The CAS number of VU0604862-1 is 844648-52-8.
What is the molecular formula of VU0604862-1?
The molecular formula of VU0604862-1 is C24H27N5O2S.
What is the molecular weight of VU0604862-1?
The molecular weight of VU0604862-1 is 449.19 g/mol.
Where can I buy VU0604862-1?
You can request a quote for VU0604862-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0604862-1?
Yes, KEHONG BIO provides custom synthesis services for VU0604862-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.