![methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate structure](/static/products/799/799795-08-7.png)
methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate
TL;DR: methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate (CAS 799795-08-7) is a chemical compound with molecular formula C24H24N4O5S and molecular weight 480.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[(8-morpholin-4-yl-13-oxo-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl)methyl]furan-2-carboxylate
Also Known As: methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate, methyl 5-{[5-(morpholin-4-yl)-8-oxo-1,3,4,8-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(2H)-yl]methyl}furan-2-carboxylate
| Molecular Formula | C24H24N4O5S |
|---|---|
| Molecular Weight | 480.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.14673 |
| Heavy Atoms | 34 |
| Complexity | 823.0 |
Chemical Identifiers
| CAS Number | 799795-08-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(O1)CN2C=NC3=C(C2=O)SC4=C3C5=C(CCCC5)C(=N4)N6CCOCC6 |
| InChIKey | DCNAPIBIORXXSU-UHFFFAOYSA-N |
Product Overview
methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate (CAS 799795-08-7), with molecular formula C24H24N4O5S and molecular weight 480.15 g/mol. IUPAC: methyl 5-[(8-morpholin-4-yl-13-oxo-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),15-pentaen-14-yl)methyl]furan-2-carboxylate.
Chemical Property Profile of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate
Property Insights of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate
The XLogP value of 3.7 indicates that methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate. Following Lipinski's Rule of Five, methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate has 0 hydrogen bond donor(s) and 9 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 methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate?
The CAS number of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate is 799795-08-7.
What is the molecular formula of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate?
The molecular formula of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate is C24H24N4O5S.
What is the molecular weight of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate?
The molecular weight of methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate is 480.15 g/mol.
Where can I buy methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate?
You can request a quote for methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-((5-morpholino-8-oxo-1,2,3,4-tetrahydropyrimido[4',5':4,5]thieno[2,3-c]isoquinolin-9(8H)-yl)methyl)furan-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.