![2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/166/166113-80-0.png)
2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 166113-80-0) is a chemical compound with molecular formula C14H15N3S and molecular weight 257.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(cyanomethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Also Known As: 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-(cyanomethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, 2-[(cyanomethyl)sulfanyl]-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile, REGID_for_CID_658114
| Molecular Formula | C14H15N3S |
|---|---|
| Molecular Weight | 257.10 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 257.09866 |
| Heavy Atoms | 18 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 166113-80-0 |
|---|---|
| SMILES | C1CCCC2=NC(=C(C=C2CC1)C#N)SCC#N |
| InChIKey | YUPFXTDYQZUYSA-UHFFFAOYSA-N |
Product Overview
2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile (CAS 166113-80-0), with molecular formula C14H15N3S and molecular weight 257.10 g/mol. IUPAC: 2-(cyanomethylsulfanyl)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 3.5 indicates that 2-((cyanomethyl)thio)-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 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile. Following Lipinski's Rule of Five, 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile has 0 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 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 166113-80-0.
What is the molecular formula of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is C14H15N3S.
What is the molecular weight of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile is 257.10 g/mol.
Where can I buy 2-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-((cyanomethyl)thio)-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-((cyanomethyl)thio)-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-((cyanomethyl)thio)-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.