![4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER structure](/static/products/489/489465-35-2.png)
4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER
TL;DR: 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER (CAS 489465-35-2) is a chemical compound with molecular formula C25H27N3O2S2 and molecular weight 465.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-[(4-methoxyphenyl)methylsulfanyl]-4,4-dimethyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene
Also Known As: 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER, 5-isopropyl-8-((4-methoxybenzyl)thio)-2,2-dimethyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 8-[(4-methoxybenzyl)sulfanyl]-2,2-dimethyl-5-(propan-2-yl)-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C25H27N3O2S2 |
|---|---|
| Molecular Weight | 465.15 g/mol |
| LogP | 6.5151 |
| Topological Polar Surface Area | 57.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.15448 |
| Heavy Atoms | 32 |
| Complexity | 1296.5303 |
Chemical Identifiers
| CAS Number | 489465-35-2 |
|---|---|
| SMILES | CC(C)C1=NC2=C(C3=C1COC(C3)(C)C)C4=C(S2)C(=NC=N4)SCC5=CC=C(C=C5)OC |
Product Overview
4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER (CAS 489465-35-2), with molecular formula C25H27N3O2S2 and molecular weight 465.15 g/mol. IUPAC: 13-[(4-methoxyphenyl)methylsulfanyl]-4,4-dimethyl-8-propan-2-yl-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),8,12(17),13,15-hexaene.
Chemical Property Profile of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER
Property Insights of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER
The XLogP value of 6.5151 indicates that 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.13 Ų, 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER?
The CAS number of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER is 489465-35-2.
What is the molecular formula of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER?
The molecular formula of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER is C25H27N3O2S2.
What is the molecular weight of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER?
The molecular weight of 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER is 465.15 g/mol.
Where can I buy 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER?
You can request a quote for 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER?
Yes, KEHONG BIO provides custom synthesis services for 4-{[(5-ISOPROPYL-2,2-DIMETHYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL)SULFANYL]METHYL}PHENYL METHYL ETHER and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.