![2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile structure](/static/products/6253/625368-12-9.webp)
2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
TL;DR: 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CAS 625368-12-9) is a chemical compound with molecular formula C22H20ClN3O2S3 and molecular weight 489.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, 2-({2-[(4-chlorophenyl)sulfonyl]ethyl}sulfanyl)-6-methyl-4-(3-thienyl)-5,6,7,8-tetrahydro[1,6]naphthyridine-3-carbonitrile, 2-{2-[(4-chlorophenyl)sulfonyl]ethylthio}-6-methyl-4-(3-thienyl)-5,6,7,8-tetra hydropyridino[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C22H20ClN3O2S3 |
|---|---|
| Molecular Weight | 489.04 g/mol |
| LogP | 4.88908 |
| Topological Polar Surface Area | 74.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.04062 |
| Heavy Atoms | 31 |
| Complexity | 1234.4958 |
Chemical Identifiers
| CAS Number | 625368-12-9 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=N2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl)C#N)C4=CSC=C4 |
Product Overview
2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CAS 625368-12-9), with molecular formula C22H20ClN3O2S3 and molecular weight 489.04 g/mol. IUPAC: 2-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-6-methyl-4-thiophen-3-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Property Insights of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
The XLogP value of 4.88908 indicates that 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile 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 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The CAS number of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is 625368-12-9.
What is the molecular formula of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The molecular formula of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is C22H20ClN3O2S3.
What is the molecular weight of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The molecular weight of 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is 489.04 g/mol.
Where can I buy 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
You can request a quote for 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-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-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-chlorobenzenesulfonyl)ethyl]sulfanyl}-6-methyl-4-(thiophen-3-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.