![2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE structure](/static/products/585/585564-28-9.png)
2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE
TL;DR: 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE (CAS 585564-28-9) is a chemical compound with molecular formula C21H17Cl2N3OS2 and molecular weight 461.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
15-[(2,6-dichlorophenyl)methylsulfanyl]-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene
Also Known As: 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE, 4-((2,6-dichlorobenzyl)thio)-8,8-dimethyl-8,10-dihydro-7H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine, 4-[(2,6-dichlorobenzyl)sulfanyl]-8,8-dimethyl-7,10-dihydro-8H-pyrano[3'',4'':5',6']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
| Molecular Formula | C21H17Cl2N3OS2 |
|---|---|
| Molecular Weight | 461.02 g/mol |
| LogP | 6.6899 |
| Topological Polar Surface Area | 47.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.019 |
| Heavy Atoms | 29 |
| Complexity | 1235.6212 |
Chemical Identifiers
| CAS Number | 585564-28-9 |
|---|---|
| SMILES | CC1(CC2=NC3=C(C=C2CO1)C4=C(S3)C(=NC=N4)SCC5=C(C=CC=C5Cl)Cl)C |
Product Overview
2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE (CAS 585564-28-9), with molecular formula C21H17Cl2N3OS2 and molecular weight 461.02 g/mol. IUPAC: 15-[(2,6-dichlorophenyl)methylsulfanyl]-5,5-dimethyl-6-oxa-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11,13,15-hexaene.
Chemical Property Profile of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE
Property Insights of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE
The XLogP value of 6.6899 indicates that 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-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, 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-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 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE?
The CAS number of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE is 585564-28-9.
What is the molecular formula of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE?
The molecular formula of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE is C21H17Cl2N3OS2.
What is the molecular weight of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE?
The molecular weight of 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE is 461.02 g/mol.
Where can I buy 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE?
You can request a quote for 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 2,6-DICHLOROBENZYL (8,8-DIMETHYL-7,10-DIHYDRO-8H-PYRANO[3'',4'':5',6']PYRIDO[3',2':4,5]THIENO[3,2-D]PYRIMIDIN-4-YL) SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.