![2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile structure](/static/products/575/575460-28-5.png)
2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
TL;DR: 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 575460-28-5) is a chemical compound with molecular formula C28H29ClN2O4S and molecular weight 524.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
Also Known As: 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-((2-chlorobenzyl)thio)-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile, 2-[(2-chlorobenzyl)sulfanyl]-5-hydroxy-7,7-dimethyl-4-(3,4,5-trimethoxyphenyl)-4,6,7,8-tetrahydroquinoline-3-carbonitrile, 2-[(2-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile
| Molecular Formula | C28H29ClN2O4S |
|---|---|
| Molecular Weight | 524.15 g/mol |
| LogP | 6.36438 |
| Topological Polar Surface Area | 80.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 524.1537 |
| Heavy Atoms | 36 |
| Complexity | 1283.8634 |
Chemical Identifiers
| CAS Number | 575460-28-5 |
|---|---|
| SMILES | CC1(CC2=C(C(C(=C(N2)SCC3=CC=CC=C3Cl)C#N)C4=CC(=C(C(=C4)OC)OC)OC)C(=O)C1)C |
Product Overview
2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile (CAS 575460-28-5), with molecular formula C28H29ClN2O4S and molecular weight 524.15 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,6,8-tetrahydroquinoline-3-carbonitrile.
Chemical Property Profile of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Property Insights of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
The XLogP value of 6.36438 indicates that 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile 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 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The CAS number of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 575460-28-5.
What is the molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular formula of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is C28H29ClN2O4S.
What is the molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
The molecular weight of 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile is 524.15 g/mol.
Where can I buy 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
You can request a quote for 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chlorobenzyl)sulfanyl]-7,7-dimethyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.