![[(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid structure](/static/products/1661/166113-83-3.webp)
[(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid
TL;DR: [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid (CAS 166113-83-3) is a chemical compound with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetic acid
Also Known As: ZERO/008067, [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid, 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetic acid, 2-(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[1,2-e]pyridin-2-ylthio)acetic acid
| Molecular Formula | C14H16N2O2S |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 2.78898 |
| Topological Polar Surface Area | 73.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.09326 |
| Heavy Atoms | 19 |
| Complexity | 522.91266 |
Chemical Identifiers
| CAS Number | 166113-83-3 |
|---|---|
| SMILES | C1CCCC2=NC(=C(C=C2CC1)C#N)SCC(=O)O |
Product Overview
[(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid (CAS 166113-83-3), with molecular formula C14H16N2O2S and molecular weight 276.09 g/mol. IUPAC: 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid
Property Insights of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid
The XLogP value of 2.78898 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid. The TPSA of 73.98 Ų falls within the moderate polarity range, balancing permeability and solubility for [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid. Following Lipinski's Rule of Five, [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid 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 [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid?
The CAS number of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid is 166113-83-3.
What is the molecular formula of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid?
The molecular formula of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid is C14H16N2O2S.
What is the molecular weight of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid?
The molecular weight of [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid is 276.09 g/mol.
Where can I buy [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid?
You can request a quote for [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for [(3-Cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.