![isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate structure](/static/products/4453/445384-86-1.webp)
isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate
TL;DR: isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate (CAS 445384-86-1) is a chemical compound with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate, propan-2-yl [(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate, Propan-2-yl 2-[(11-cyano-9-azabicyclo[6.4.0]dodeca-8,10,12-trien-10-yl)sulfanyl]acetate, propan-2-yl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C17H22N2O2S |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 3.65598 |
| Topological Polar Surface Area | 62.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.1402 |
| Heavy Atoms | 22 |
| Complexity | 578.757 |
Chemical Identifiers
| CAS Number | 445384-86-1 |
|---|---|
| SMILES | CC(C)OC(=O)CSC1=C(C=C2CCCCCCC2=N1)C#N |
Product Overview
isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate (CAS 445384-86-1), with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol. IUPAC: propan-2-yl 2-[(3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate
Property Insights of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate
The XLogP value of 3.65598 indicates that isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)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 isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate. Following Lipinski's Rule of Five, isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate has 0 hydrogen bond donor(s) and 5 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 isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate?
The CAS number of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate is 445384-86-1.
What is the molecular formula of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate?
The molecular formula of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate is C17H22N2O2S.
What is the molecular weight of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate?
The molecular weight of isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate is 318.14 g/mol.
Where can I buy isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate?
You can request a quote for isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for isopropyl 2-((3-cyano-5,6,7,8,9,10-hexahydrocycloocta[b]pyridin-2-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.