![2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/1661/166113-81-1.webp)
2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 166113-81-1) is a chemical compound with molecular formula C20H20N2OS and molecular weight 336.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-[(2-oxo-2-phenylethyl)sulfanyl]-5H,6H,7H,8H,9H,10H-cycloocta[b]pyridine-3-carbonitrile, 2-((2-oxo-2-phenylethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-(2-Oxo-2-phenyl-ethylsulfanyl)-5,6,7,8,9,10-hexahydro-cycloocta[b]pyridine-3-carbonitrile
| Molecular Formula | C20H20N2OS |
|---|---|
| Molecular Weight | 336.13 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 79.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.12964 |
| Heavy Atoms | 24 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 166113-81-1 |
|---|---|
| SMILES | C1CCCC2=NC(=C(C=C2CC1)C#N)SCC(=O)C3=CC=CC=C3 |
| InChIKey | DSFFNHAYIKNYBP-UHFFFAOYSA-N |
Product Overview
2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 166113-81-1), with molecular formula C20H20N2OS and molecular weight 336.13 g/mol. IUPAC: 2-phenacylsulfanyl-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 5.1 indicates that 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile has 0 hydrogen bond donor(s) and 4 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-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 166113-81-1.
What is the molecular formula of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is C20H20N2OS.
What is the molecular weight of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 336.13 g/mol.
Where can I buy 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-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-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-oxo-2-phenylethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.