3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 370075-57-3) is a chemical compound with molecular formula C18H25N3OS and molecular weight 331.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-butylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 3-butylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(butylthio)-1-morpholino-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 3-(butylsulfanyl)-1-(morpholin-4-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C18H25N3OS |
|---|---|
| Molecular Weight | 331.17 g/mol |
| LogP | 3.56088 |
| Topological Polar Surface Area | 49.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.17184 |
| Heavy Atoms | 23 |
| Complexity | 590.91 |
Chemical Identifiers
| CAS Number | 370075-57-3 |
|---|---|
| SMILES | CCCCSC1=C(C2=C(CCCC2)C(=N1)N3CCOCC3)C#N |
Product Overview
3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 370075-57-3), with molecular formula C18H25N3OS and molecular weight 331.17 g/mol. IUPAC: 3-butylsulfanyl-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.56088 indicates that 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.15 Ų, 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 370075-57-3.
What is the molecular formula of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C18H25N3OS.
What is the molecular weight of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 331.17 g/mol.
Where can I buy 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Butylthio-1-morpholin-4-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.