![7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile structure](/static/products/2116/211613-58-0.webp)
7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile
TL;DR: 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile (CAS 211613-58-0) is a chemical compound with molecular formula C18H24N2OS and molecular weight 316.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile
Also Known As: 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile, 7',7'-dimethyl-2'-(methylsulfanyl)-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile, 7',7'-dimethyl-2'-(methylthio)-5'-oxo-5',6',7',8'-tetrahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
| Molecular Formula | C18H24N2OS |
|---|---|
| Molecular Weight | 316.16 g/mol |
| LogP | 4.28148 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 316.16095 |
| Heavy Atoms | 22 |
| Complexity | 615.48865 |
Chemical Identifiers
| CAS Number | 211613-58-0 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(=C(N2)SC)C#N)C |
Product Overview
7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile (CAS 211613-58-0), with molecular formula C18H24N2OS and molecular weight 316.16 g/mol. IUPAC: 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile.
Chemical Property Profile of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile
Property Insights of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile
The XLogP value of 4.28148 indicates that 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.89 Ų, 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile has 1 hydrogen bond donor(s) and 4 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 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile?
The CAS number of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile is 211613-58-0.
What is the molecular formula of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile?
The molecular formula of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile is C18H24N2OS.
What is the molecular weight of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile?
The molecular weight of 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile is 316.16 g/mol.
Where can I buy 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile?
You can request a quote for 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-2-methylsulfanyl-5-oxospiro[6,8-dihydro-1H-quinoline-4,1'-cyclohexane]-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.