![2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one structure](/static/products/497/497865-61-9.png)
2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
TL;DR: 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 497865-61-9) is a chemical compound with molecular formula C18H20N4O5S and molecular weight 404.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-ethoxy-4-hydroxy-5-nitrophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
Also Known As: 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
| Molecular Formula | C18H20N4O5S |
|---|---|
| Molecular Weight | 404.12 g/mol |
| LogP | 2.6026 |
| Topological Polar Surface Area | 116.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 404.11545 |
| Heavy Atoms | 28 |
| Complexity | 973.371 |
Chemical Identifiers
| CAS Number | 497865-61-9 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=C(C4=C(S3)CN(CC4)C)C(=O)N2 |
Product Overview
2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one (CAS 497865-61-9), with molecular formula C18H20N4O5S and molecular weight 404.12 g/mol. IUPAC: 5-(3-ethoxy-4-hydroxy-5-nitrophenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one.
Chemical Property Profile of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Property Insights of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
The XLogP value of 2.6026 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one. The TPSA of 116.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one. Following Lipinski's Rule of Five, 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one has 3 hydrogen bond donor(s) and 8 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 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The CAS number of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 497865-61-9.
What is the molecular formula of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular formula of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is C18H20N4O5S.
What is the molecular weight of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
The molecular weight of 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one is 404.12 g/mol.
Where can I buy 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
You can request a quote for 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.