![3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/672/672918-42-2.png)
3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 672918-42-2) is a chemical compound with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-ethyl-13,13-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 3-ethyl-8,8-dimethyl-2-[(4-nitrobenzyl)sulfanyl]-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H22N4O4S |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 3.8632 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.13617 |
| Heavy Atoms | 30 |
| Complexity | 1188.316 |
Chemical Identifiers
| CAS Number | 672918-42-2 |
|---|---|
| SMILES | CCN1C(=O)C2=C(N=C3CC(OCC3=C2)(C)C)N=C1SCC4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 672918-42-2), with molecular formula C21H22N4O4S and molecular weight 426.14 g/mol. IUPAC: 6-ethyl-13,13-dimethyl-5-[(4-nitrophenyl)methylsulfanyl]-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 3.8632 indicates that 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one. Following Lipinski's Rule of Five, 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one has 0 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 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 672918-42-2.
What is the molecular formula of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C21H22N4O4S.
What is the molecular weight of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 426.14 g/mol.
Where can I buy 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 3-ethyl-8,8-dimethyl-2-((4-nitrobenzyl)thio)-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.