![Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate structure](/static/products/370/370077-95-5.png)
Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
TL;DR: Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate (CAS 370077-95-5) is a chemical compound with molecular formula C22H32N2O2S and molecular weight 388.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate, octyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate, Octyl 2-[(11-cyano-9-azabicyclo[6.4.0]dodeca-8,10,12-trien-10-yl)sulfanyl]acetate, octyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C22H32N2O2S |
|---|---|
| Molecular Weight | 388.22 g/mol |
| LogP | 5.60808 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 388.21844 |
| Heavy Atoms | 27 |
| Complexity | 639.9353 |
Chemical Identifiers
| CAS Number | 370077-95-5 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CSC1=C(C=C2CCCCCCC2=N1)C#N |
Product Overview
Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate (CAS 370077-95-5), with molecular formula C22H32N2O2S and molecular weight 388.22 g/mol. IUPAC: octyl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Property Insights of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
The XLogP value of 5.60808 indicates that Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate. Following Lipinski's Rule of Five, Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate?
The CAS number of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate is 370077-95-5.
What is the molecular formula of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate?
The molecular formula of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate is C22H32N2O2S.
What is the molecular weight of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate?
The molecular weight of Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate is 388.22 g/mol.
Where can I buy Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate?
You can request a quote for Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate?
Yes, KEHONG BIO provides custom synthesis services for Octyl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.