![1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile structure](/static/products/674/674296-10-7.png)
1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
TL;DR: 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 674296-10-7) is a chemical compound with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Also Known As: 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-morpholino-3-((4-nitrobenzyl)thio)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile, 1-(morpholin-4-yl)-3-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
| Molecular Formula | C21H22N4O3S |
|---|---|
| Molecular Weight | 410.14 g/mol |
| LogP | 3.86918 |
| Topological Polar Surface Area | 92.29 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.14127 |
| Heavy Atoms | 29 |
| Complexity | 949.8791 |
Chemical Identifiers
| CAS Number | 674296-10-7 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(N=C2N3CCOCC3)SCC4=CC=C(C=C4)[N+](=O)[O-])C#N |
Product Overview
1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile (CAS 674296-10-7), with molecular formula C21H22N4O3S and molecular weight 410.14 g/mol. IUPAC: 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile.
Chemical Property Profile of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Property Insights of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
The XLogP value of 3.86918 indicates that 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile. Following Lipinski's Rule of Five, 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile 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 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The CAS number of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 674296-10-7.
What is the molecular formula of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular formula of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is C21H22N4O3S.
What is the molecular weight of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
The molecular weight of 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile is 410.14 g/mol.
Where can I buy 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
You can request a quote for 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-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 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-morpholin-4-yl-3-[(4-nitrophenyl)methylsulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.