![Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester structure](/static/products/372/372090-44-3.png)
Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester
TL;DR: Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester (CAS 372090-44-3) is a chemical compound with molecular formula C19H26N2O2S and molecular weight 346.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
Also Known As: Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester, Octyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate, octyl 2-((3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)thio)acetate, Octyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate #, octyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate
| Molecular Formula | C19H26N2O2S |
|---|---|
| Molecular Weight | 346.17 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 346.1715 |
| Heavy Atoms | 24 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 372090-44-3 |
|---|---|
| SMILES | CCCCCCCCOC(=O)CSC1=C(C=C2CCCC2=N1)C#N |
| InChIKey | HEZRKIJICUIEEJ-UHFFFAOYSA-N |
Product Overview
Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester (CAS 372090-44-3), with molecular formula C19H26N2O2S and molecular weight 346.17 g/mol. IUPAC: octyl 2-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate.
Chemical Property Profile of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester
Property Insights of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester
The XLogP value of 5.4 indicates that Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester. Following Lipinski's Rule of Five, Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester 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 Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester?
The CAS number of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester is 372090-44-3.
What is the molecular formula of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester?
The molecular formula of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester is C19H26N2O2S.
What is the molecular weight of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester?
The molecular weight of Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester is 346.17 g/mol.
Where can I buy Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester?
You can request a quote for Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, 2-(6,7-dihydro-3-cyano-5H-cyclopenta[b]pyridin-2-ylthio)-, octyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.