![8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE structure](/static/products/896/896816-11-8.png)
8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE
TL;DR: 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE (CAS 896816-11-8) is a chemical compound with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-15-(2-phenylethylsulfanyl)-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene
Also Known As: 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE, 8,8-dimethyl-4-(phenethylthio)-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine, 8,8-dimethyl-4-[(2-phenylethyl)sulfanyl]-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]furo[3,2-d]pyrimidine
| Molecular Formula | C22H21N3O2S |
|---|---|
| Molecular Weight | 391.14 g/mol |
| LogP | 4.9571 |
| Topological Polar Surface Area | 61.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.13544 |
| Heavy Atoms | 28 |
| Complexity | 1154.8439 |
Chemical Identifiers
| CAS Number | 896816-11-8 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(O3)C(=NC=N4)SCCC5=CC=CC=C5)C |
Product Overview
8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE (CAS 896816-11-8), with molecular formula C22H21N3O2S and molecular weight 391.14 g/mol. IUPAC: 5,5-dimethyl-15-(2-phenylethylsulfanyl)-6,17-dioxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12,14-hexaene.
Chemical Property Profile of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE
Property Insights of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE
The XLogP value of 4.9571 indicates that 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE. Following Lipinski's Rule of Five, 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE has 0 hydrogen bond donor(s) and 6 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 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE?
The CAS number of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE is 896816-11-8.
What is the molecular formula of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE?
The molecular formula of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE is C22H21N3O2S.
What is the molecular weight of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE?
The molecular weight of 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE is 391.14 g/mol.
Where can I buy 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE?
You can request a quote for 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE?
Yes, KEHONG BIO provides custom synthesis services for 8,8-DIMETHYL-4-(PHENETHYLSULFANYL)-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]FURO[3,2-D]PYRIMIDINE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.