![ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate structure](/static/products/496/496772-03-3.png)
ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate
TL;DR: ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate (CAS 496772-03-3) is a chemical compound with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[5-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)furan-2-yl]benzoate
Also Known As: ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate, ethyl 4-(5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl)benzoate, ethyl 4-[5-(4-hydroxy-7-methyl-1,2,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate, ethyl 4-[5-(7-methyl-4-oxo-1,2,3,5,6,7,8-heptahydropyrimidino[5',4'-4,5]thioph eno[2,3-c]pyridin-2-yl)-2-furyl]benzoate
| Molecular Formula | C23H23N3O4S |
|---|---|
| Molecular Weight | 437.14 g/mol |
| LogP | 4.0268 |
| Topological Polar Surface Area | 83.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.14093 |
| Heavy Atoms | 31 |
| Complexity | 1148.2858 |
Chemical Identifiers
| CAS Number | 496772-03-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C3NC4=C(C5=C(S4)CN(CC5)C)C(=O)N3 |
Product Overview
ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate (CAS 496772-03-3), with molecular formula C23H23N3O4S and molecular weight 437.14 g/mol. IUPAC: ethyl 4-[5-(11-methyl-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl)furan-2-yl]benzoate.
Chemical Property Profile of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate
Property Insights of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate
The XLogP value of 4.0268 indicates that ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.81 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate. Following Lipinski's Rule of Five, ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate has 2 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 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate?
The CAS number of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate is 496772-03-3.
What is the molecular formula of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate?
The molecular formula of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate is C23H23N3O4S.
What is the molecular weight of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate?
The molecular weight of ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate is 437.14 g/mol.
Where can I buy ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate?
You can request a quote for ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-[5-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)furan-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.