VU0509921-1
TL;DR: VU0509921-1 (CAS 488095-26-7) is a chemical compound with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile
Also Known As: VU0509921-1, 2-(ethylthio)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, F3129-0096, 2-ethylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile, 2-(ethylsulfanyl)-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
| Molecular Formula | C21H24N2O4S |
|---|---|
| Molecular Weight | 400.15 g/mol |
| LogP | 3.89458 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 400.1457 |
| Heavy Atoms | 28 |
| Complexity | 873.15204 |
Chemical Identifiers
| CAS Number | 488095-26-7 |
|---|---|
| SMILES | CCSC1=C(C(C2=C(N1)CCCC2=O)C3=CC(=C(C(=C3)OC)OC)OC)C#N |
Product Overview
VU0509921-1 (CAS 488095-26-7), with molecular formula C21H24N2O4S and molecular weight 400.15 g/mol. IUPAC: 2-ethylsulfanyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinoline-3-carbonitrile.
Chemical Property Profile of VU0509921-1
Property Insights of VU0509921-1
The XLogP value of 3.89458 indicates that VU0509921-1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.58 Ų falls within the moderate polarity range, balancing permeability and solubility for VU0509921-1. Following Lipinski's Rule of Five, VU0509921-1 has 1 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 VU0509921-1?
The CAS number of VU0509921-1 is 488095-26-7.
What is the molecular formula of VU0509921-1?
The molecular formula of VU0509921-1 is C21H24N2O4S.
What is the molecular weight of VU0509921-1?
The molecular weight of VU0509921-1 is 400.15 g/mol.
Where can I buy VU0509921-1?
You can request a quote for VU0509921-1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for VU0509921-1?
Yes, KEHONG BIO provides custom synthesis services for VU0509921-1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.