![4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE structure](/static/products/836/836635-90-6.png)
4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE
TL;DR: 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE (CAS 836635-90-6) is a chemical compound with molecular formula C22H20FN3OS2 and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-fluorophenyl)methylsulfanyl]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaene
Also Known As: 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE, 8-((4-fluorobenzyl)thio)-2,2,5-trimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-[(4-fluorobenzyl)sulfanyl]-2,2,5-trimethyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C22H20FN3OS2 |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 5.83062 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.10318 |
| Heavy Atoms | 29 |
| Complexity | 1234.7523 |
Chemical Identifiers
| CAS Number | 836635-90-6 |
|---|---|
| SMILES | CC1=C2COC(CC2=C3C4=C(C(=NC=N4)SCC5=CC=C(C=C5)F)SC3=N1)(C)C |
Product Overview
4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE (CAS 836635-90-6), with molecular formula C22H20FN3OS2 and molecular weight 425.10 g/mol. IUPAC: 13-[(4-fluorophenyl)methylsulfanyl]-4,4,8-trimethyl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,7,9,12(17),13,15-hexaene.
Chemical Property Profile of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE
Property Insights of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE
The XLogP value of 5.83062 indicates that 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.9 Ų, 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
The CAS number of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is 836635-90-6.
What is the molecular formula of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
The molecular formula of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is C22H20FN3OS2.
What is the molecular weight of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
The molecular weight of 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE is 425.10 g/mol.
Where can I buy 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
You can request a quote for 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 4-FLUOROBENZYL (2,2,5-TRIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL) SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.