![2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one structure](/static/products/5754/575470-52-9.webp)
2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
TL;DR: 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 575470-52-9) is a chemical compound with molecular formula C25H22FN3O2S and molecular weight 447.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-fluorophenyl)methylsulfanyl]-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one
Also Known As: 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one, 2-[(4-fluorobenzyl)sulfanyl]-8,8-dimethyl-3-phenyl-3,6,8,9-tetrahydro-4H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4-one, 2-[(4-fluorophenyl)methylsulfanyl]-8,8-dimethyl-3-phenyl-6,9-dihydropyrano[3,4]pyrido[3,5-b]pyrimidin-4-one
| Molecular Formula | C25H22FN3O2S |
|---|---|
| Molecular Weight | 447.14 g/mol |
| LogP | 5.0634 |
| Topological Polar Surface Area | 57.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.14166 |
| Heavy Atoms | 32 |
| Complexity | 1351.9808 |
Chemical Identifiers
| CAS Number | 575470-52-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C(=O)N(C(=N3)SCC4=CC=C(C=C4)F)C5=CC=CC=C5)C |
Product Overview
2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one (CAS 575470-52-9), with molecular formula C25H22FN3O2S and molecular weight 447.14 g/mol. IUPAC: 5-[(4-fluorophenyl)methylsulfanyl]-13,13-dimethyl-6-phenyl-12-oxa-2,4,6-triazatricyclo[8.4.0.03,8]tetradeca-1,3(8),4,9-tetraen-7-one.
Chemical Property Profile of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
Property Insights of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one
The XLogP value of 5.0634 indicates that 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-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. With a topological polar surface area (TPSA) of 57.01 Ų, 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The CAS number of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 575470-52-9.
What is the molecular formula of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular formula of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is C25H22FN3O2S.
What is the molecular weight of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
The molecular weight of 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one is 447.14 g/mol.
Where can I buy 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-8,9-dihydro-3H-pyrano[3',4':5,6]pyrido[2,3-d]pyrimidin-4(6H)-one?
You can request a quote for 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-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 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-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 2-((4-fluorobenzyl)thio)-8,8-dimethyl-3-phenyl-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.