![(4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate structure](/static/products/488/488109-66-6.png)
(4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
TL;DR: (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate (CAS 488109-66-6) is a chemical compound with molecular formula C27H25ClN2O6S and molecular weight 540.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
Also Known As: (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate, 4-chlorophenyl {[3-cyano-5-hydroxy-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinolin-2-yl]sulfanyl}acetate, 4-chlorophenyl 2-((3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinolin-2-yl)thio)acetate
| Molecular Formula | C27H25ClN2O6S |
|---|---|
| Molecular Weight | 540.11 g/mol |
| LogP | 5.13368 |
| Topological Polar Surface Area | 106.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 540.1122 |
| Heavy Atoms | 37 |
| Complexity | 1304.3921 |
Chemical Identifiers
| CAS Number | 488109-66-6 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2C(=C(NC3=C2C(=O)CCC3)SCC(=O)OC4=CC=C(C=C4)Cl)C#N |
Product Overview
(4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate (CAS 488109-66-6), with molecular formula C27H25ClN2O6S and molecular weight 540.11 g/mol. IUPAC: (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate.
Chemical Property Profile of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
Property Insights of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate
The XLogP value of 5.13368 indicates that (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate. Following Lipinski's Rule of Five, (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate?
The CAS number of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate is 488109-66-6.
What is the molecular formula of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate?
The molecular formula of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate is C27H25ClN2O6S.
What is the molecular weight of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate?
The molecular weight of (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate is 540.11 g/mol.
Where can I buy (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate?
You can request a quote for (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for (4-chlorophenyl) 2-[[3-cyano-5-oxo-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-2-yl]sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.