2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
TL;DR: 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CAS 354556-56-2) is a chemical compound with molecular formula C21H17ClFN3S2 and molecular weight 429.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile
Also Known As: 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile, 2-[(2-chloro-6-fluorophenyl)methylthio]-6-methyl-4-(2-thienyl)-5,6,7,8-tetrahy dropyridino[3,2-c]pyridine-3-carbonitrile
| Molecular Formula | C21H17ClFN3S2 |
|---|---|
| Molecular Weight | 429.05 g/mol |
| LogP | 5.75448 |
| Topological Polar Surface Area | 39.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 429.05365 |
| Heavy Atoms | 28 |
| Complexity | 1040.248 |
Chemical Identifiers
| CAS Number | 354556-56-2 |
|---|---|
| SMILES | CN1CCC2=C(C1)C(=C(C(=N2)SCC3=C(C=CC=C3Cl)F)C#N)C4=CC=CS4 |
Product Overview
2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile (CAS 354556-56-2), with molecular formula C21H17ClFN3S2 and molecular weight 429.05 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-methyl-4-thiophen-2-yl-7,8-dihydro-5H-1,6-naphthyridine-3-carbonitrile.
Chemical Property Profile of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
Property Insights of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile
The XLogP value of 5.75448 indicates that 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.92 Ų, 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 5 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-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The CAS number of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is 354556-56-2.
What is the molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The molecular formula of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is C21H17ClFN3S2.
What is the molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
The molecular weight of 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile is 429.05 g/mol.
Where can I buy 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
You can request a quote for 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-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-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-yl)-5,6,7,8-tetrahydro-1,6-naphthyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((2-chloro-6-fluorobenzyl)thio)-6-methyl-4-(thiophen-2-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.