![2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE structure](/static/products/577/577697-57-5.png)
2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE
TL;DR: 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE (CAS 577697-57-5) is a chemical compound with molecular formula C28H25N3OS2 and molecular weight 483.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-13-[(2-methylphenyl)methylsulfanyl]-8-phenyl-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: 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE, 2,2-dimethyl-8-((2-methylbenzyl)thio)-5-phenyl-2,4-dihydro-1H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 2,2-dimethyl-8-[(2-methylbenzyl)sulfanyl]-5-phenyl-1,4-dihydro-2H-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C28H25N3OS2 |
|---|---|
| Molecular Weight | 483.14 g/mol |
| LogP | 7.35852 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 483.1439 |
| Heavy Atoms | 34 |
| Complexity | 1525.8179 |
Chemical Identifiers
| CAS Number | 577697-57-5 |
|---|---|
| SMILES | CC1=CC=CC=C1CSC2=NC=NC3=C2SC4=C3C5=C(COC(C5)(C)C)C(=N4)C6=CC=CC=C6 |
Product Overview
2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE (CAS 577697-57-5), with molecular formula C28H25N3OS2 and molecular weight 483.14 g/mol. IUPAC: 4,4-dimethyl-13-[(2-methylphenyl)methylsulfanyl]-8-phenyl-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 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE
Property Insights of 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE
The XLogP value of 7.35852 indicates that 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) 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, 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) 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 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE?
The CAS number of 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE is 577697-57-5.
What is the molecular formula of 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE?
The molecular formula of 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE is C28H25N3OS2.
What is the molecular weight of 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE?
The molecular weight of 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE is 483.14 g/mol.
Where can I buy 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE?
You can request a quote for 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 2,2-DIMETHYL-5-PHENYL-1,4-DIHYDRO-2H-PYRANO[4'',3'':4',5']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-8-YL (2-METHYLBENZYL) SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.