![ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate structure](/static/products/371/371959-35-2.png)
ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
TL;DR: ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate (CAS 371959-35-2) is a chemical compound with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[[11-benzyl-4-(4-methoxyphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate
Also Known As: ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate, ethyl 2-((7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C27H27N3O4S2 |
|---|---|
| Molecular Weight | 521.14 g/mol |
| LogP | 4.6693 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 521.1443 |
| Heavy Atoms | 36 |
| Complexity | 1431.6787 |
Chemical Identifiers
| CAS Number | 371959-35-2 |
|---|---|
| SMILES | CCOC(=O)CSC1=NC2=C(C3=C(S2)CN(CC3)CC4=CC=CC=C4)C(=O)N1C5=CC=C(C=C5)OC |
Product Overview
ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate (CAS 371959-35-2), with molecular formula C27H27N3O4S2 and molecular weight 521.14 g/mol. IUPAC: ethyl 2-[[11-benzyl-4-(4-methoxyphenyl)-3-oxo-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]acetate.
Chemical Property Profile of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
Property Insights of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate
The XLogP value of 4.6693 indicates that ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate. Following Lipinski's Rule of Five, ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
The CAS number of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is 371959-35-2.
What is the molecular formula of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
The molecular formula of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is C27H27N3O4S2.
What is the molecular weight of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
The molecular weight of ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate is 521.14 g/mol.
Where can I buy ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
You can request a quote for ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl {[7-benzyl-3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.