VU0605248-1
TL;DR: VU0605248-1 (CAS 885186-87-8) is a chemical compound with molecular formula C20H20ClN3O3S and molecular weight 417.09 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-(4-methoxyphenyl)sulfonylprop-2-enenitrile
Also Known As: VU0605248-1, (E)-3-(4-(3-chlorophenyl)piperazin-1-yl)-2-((4-methoxyphenyl)sulfonyl)acrylonitrile, F3225-7758, (2E)-3-[4-(3-CHLOROPHENYL)PIPERAZIN-1-YL]-2-(4-METHOXYBENZENESULFONYL)PROP-2-ENENITRILE, (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile
| Molecular Formula | C20H20ClN3O3S |
|---|---|
| Molecular Weight | 417.09 g/mol |
| LogP | 3.30948 |
| Topological Polar Surface Area | 73.64 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 417.0914 |
| Heavy Atoms | 28 |
| Complexity | 1005.7366 |
Chemical Identifiers
| CAS Number | 885186-87-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)S(=O)(=O)/C(=C/N2CCN(CC2)C3=CC(=CC=C3)Cl)/C#N |
Product Overview
VU0605248-1 (CAS 885186-87-8), with molecular formula C20H20ClN3O3S and molecular weight 417.09 g/mol. IUPAC: (E)-3-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methoxyphenyl)sulfonylprop-2-enenitrile.
Chemical Property Profile of VU0605248-1
Property Insights of VU0605248-1
The XLogP value of 3.30948 indicates that VU0605248-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.64 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0605248-1. Following Lipinski's Rule of Five, VU0605248-1 has 0 hydrogen bond donor(s) and 6 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 VU0605248-1?
The CAS number of VU0605248-1 is 885186-87-8.
What is the molecular formula of VU0605248-1?
The molecular formula of VU0605248-1 is C20H20ClN3O3S.
What is the molecular weight of VU0605248-1?
The molecular weight of VU0605248-1 is 417.09 g/mol.
Where can I buy VU0605248-1?
You can request a quote for VU0605248-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0605248-1?
Yes, KEHONG BIO provides custom synthesis services for VU0605248-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.