![2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile structure](/static/products/1543/154384-02-8.webp)
2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
TL;DR: 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile (CAS 154384-02-8) is a chemical compound with molecular formula C12H14N2S and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile
Also Known As: ZERO/008064, 2-thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile, AM-807/15304011, 2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile, 1,2,5,6,7,8,9,10-Octahydro-2-thioxocycloocta[b]pyridine-3-carbonitrile
| Molecular Formula | C12H14N2S |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 3.27487 |
| Topological Polar Surface Area | 39.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 218.08777 |
| Heavy Atoms | 15 |
| Complexity | 453.6704 |
Chemical Identifiers
| CAS Number | 154384-02-8 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C=C(C(=S)N2)C#N |
Product Overview
2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile (CAS 154384-02-8), with molecular formula C12H14N2S and molecular weight 218.09 g/mol. IUPAC: 2-sulfanylidene-5,6,7,8,9,10-hexahydro-1H-cycloocta[b]pyridine-3-carbonitrile.
Chemical Property Profile of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
Property Insights of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile
The XLogP value of 3.27487 indicates that 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.58 Ų, 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile has 1 hydrogen bond donor(s) and 2 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-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile?
The CAS number of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile is 154384-02-8.
What is the molecular formula of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular formula of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile is C12H14N2S.
What is the molecular weight of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile?
The molecular weight of 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile is 218.09 g/mol.
Where can I buy 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile?
You can request a quote for 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[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-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Thioxo-1,2,5,6,7,8,9,10-octahydrocycloocta[b]pyridine-3-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.