![Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate structure](/static/products/904/904005-76-1.png)
Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate
TL;DR: Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate (CAS 904005-76-1) is a chemical compound with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate
Also Known As: Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate, ethyl 4-((4-cyano-1-morpholino-5,6,7,8-tetrahydroisoquinolin-3-yl)thio)butanoate, ethyl 4-{[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}butanoate
| Molecular Formula | C20H27N3O3S |
|---|---|
| Molecular Weight | 389.18 g/mol |
| LogP | 3.10408 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 389.1773 |
| Heavy Atoms | 27 |
| Complexity | 711.404 |
Chemical Identifiers
| CAS Number | 904005-76-1 |
|---|---|
| SMILES | CCOC(=O)CCCSC1=C(C2=C(CCCC2)C(=N1)N3CCOCC3)C#N |
Product Overview
Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate (CAS 904005-76-1), with molecular formula C20H27N3O3S and molecular weight 389.18 g/mol. IUPAC: ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate.
Chemical Property Profile of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate
Property Insights of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate
The XLogP value of 3.10408 indicates that Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate has 0 hydrogen bond donor(s) and 7 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 Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate?
The CAS number of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate is 904005-76-1.
What is the molecular formula of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate?
The molecular formula of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate is C20H27N3O3S.
What is the molecular weight of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate?
The molecular weight of Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate is 389.18 g/mol.
Where can I buy Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate?
You can request a quote for Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.