Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate
TL;DR: Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate (CAS 54585-48-7) is a chemical compound with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate
Also Known As: ChemDiv1_008381, DivK1c_003021, CDS1_001981, BAS 00288820, ethyl {[4-cyano-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate
| Molecular Formula | C18H23N3O3S |
|---|---|
| Molecular Weight | 361.15 g/mol |
| LogP | 2.32388 |
| Topological Polar Surface Area | 75.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.14603 |
| Heavy Atoms | 25 |
| Complexity | 681.1243 |
Chemical Identifiers
| CAS Number | 54585-48-7 |
|---|---|
| SMILES | CCOC(=O)CSC1=C(C2=C(CCCC2)C(=N1)N3CCOCC3)C#N |
Product Overview
Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate (CAS 54585-48-7), with molecular formula C18H23N3O3S and molecular weight 361.15 g/mol. IUPAC: ethyl 2-[(4-cyano-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinolin-3-yl)sulfanyl]acetate.
Chemical Property Profile of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate
Property Insights of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate
The XLogP value of 2.32388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate. The TPSA of 75.45 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate. Following Lipinski's Rule of Five, Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate 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 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate?
The CAS number of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate is 54585-48-7.
What is the molecular formula of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate?
The molecular formula of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate is C18H23N3O3S.
What is the molecular weight of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate?
The molecular weight of Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate is 361.15 g/mol.
Where can I buy Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate?
You can request a quote for Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-cyano-1-morpholin-4-yl-3-5,6,7,8-tetrahydroisoquinolylthio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.