![7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile structure](/static/products/2116/211613-56-8.webp)
7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile
TL;DR: 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile (CAS 211613-56-8) is a chemical compound with molecular formula C17H22N2OS and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile
Also Known As: 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile, 7',7'-dimethyl-5'-oxo-2'-sulfanyl-5',6',7',8'-tetrahydro-3'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile, 7',7'-dimethyl-5'-oxo-2'-thioxo-2',3',5',6',7',8'-hexahydro-1'H-spiro[cyclohexane-1,4'-quinoline]-3'-carbonitrile
| Molecular Formula | C17H22N2OS |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 3.65048 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.1453 |
| Heavy Atoms | 21 |
| Complexity | 576.08777 |
Chemical Identifiers
| CAS Number | 211613-56-8 |
|---|---|
| SMILES | CC1(CC2=C(C(=O)C1)C3(CCCCC3)C(C(=S)N2)C#N)C |
Product Overview
7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile (CAS 211613-56-8), with molecular formula C17H22N2OS and molecular weight 302.15 g/mol. IUPAC: 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile.
Chemical Property Profile of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile
Property Insights of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile
The XLogP value of 3.65048 indicates that 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-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-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile has 1 hydrogen bond donor(s) and 3 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-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile?
The CAS number of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile is 211613-56-8.
What is the molecular formula of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile?
The molecular formula of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile is C17H22N2OS.
What is the molecular weight of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile?
The molecular weight of 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile is 302.15 g/mol.
Where can I buy 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile?
You can request a quote for 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-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-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7,7-dimethyl-5-oxo-2-sulfanylidenespiro[1,3,6,8-tetrahydroquinoline-4,1'-cyclohexane]-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.