2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
TL;DR: 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 903865-03-2) is a chemical compound with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
Also Known As: 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide, 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide, 2-{[4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
| Molecular Formula | C22H26N4O2S |
|---|---|
| Molecular Weight | 410.18 g/mol |
| LogP | 3.82388 |
| Topological Polar Surface Area | 82.16 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.17764 |
| Heavy Atoms | 29 |
| Complexity | 898.5215 |
Chemical Identifiers
| CAS Number | 903865-03-2 |
|---|---|
| SMILES | C1CCN(CC1)C2=NC(=C(C3=C2CCCC3)C#N)SCC(=O)NCC4=CC=CO4 |
Product Overview
2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide (CAS 903865-03-2), with molecular formula C22H26N4O2S and molecular weight 410.18 g/mol. IUPAC: 2-[(4-cyano-1-piperidin-1-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]-N-(furan-2-ylmethyl)acetamide.
Chemical Property Profile of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
Property Insights of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide
The XLogP value of 3.82388 indicates that 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide. Following Lipinski's Rule of Five, 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide has 1 hydrogen bond donor(s) and 6 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-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The CAS number of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 903865-03-2.
What is the molecular formula of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular formula of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is C22H26N4O2S.
What is the molecular weight of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
The molecular weight of 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide is 410.18 g/mol.
Where can I buy 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
You can request a quote for 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-cyano-1-(piperidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)-N-(furan-2-ylmethyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.