![2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone structure](/static/products/488/488708-03-8.png)
2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone
TL;DR: 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone (CAS 488708-03-8) is a chemical compound with molecular formula C25H23N5O4S2 and molecular weight 521.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone, 2-{[5-(morpholin-4-yl)-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
| Molecular Formula | C25H23N5O4S2 |
|---|---|
| Molecular Weight | 521.12 g/mol |
| LogP | 4.8381 |
| Topological Polar Surface Area | 111.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.11914 |
| Heavy Atoms | 36 |
| Complexity | 1499.1176 |
Chemical Identifiers
| CAS Number | 488708-03-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C3=C(N=C2N4CCOCC4)SC5=C3N=CN=C5SCC(=O)C6=CC(=CC=C6)[N+](=O)[O-] |
Product Overview
2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone (CAS 488708-03-8), with molecular formula C25H23N5O4S2 and molecular weight 521.12 g/mol. IUPAC: 2-[(8-morpholin-4-yl-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12,14,16-hexaen-13-yl)sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone
Property Insights of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone
The XLogP value of 4.8381 indicates that 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.35 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone?
The CAS number of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone is 488708-03-8.
What is the molecular formula of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone?
The molecular formula of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone is C25H23N5O4S2.
What is the molecular weight of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone?
The molecular weight of 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone is 521.12 g/mol.
Where can I buy 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone?
You can request a quote for 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-morpholino-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-8-yl)thio)-1-(3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.