![2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE structure](/static/products/799/799794-92-6.png)
2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE
TL;DR: 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE (CAS 799794-92-6) is a chemical compound with molecular formula C19H19ClN2OS3 and molecular weight 422.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylsulfanyl]-12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE, 4-((2-chlorobenzyl)thio)-6,6-dimethyl-2-(methylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(2-chlorobenzyl)sulfanyl]-6,6-dimethyl-2-(methylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C19H19ClN2OS3 |
|---|---|
| Molecular Weight | 422.03 g/mol |
| LogP | 6.2102 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 422.0348 |
| Heavy Atoms | 26 |
| Complexity | 970.8178 |
Chemical Identifiers
| CAS Number | 799794-92-6 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=NC(=N3)SC)SCC4=CC=CC=C4Cl)C |
Product Overview
2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE (CAS 799794-92-6), with molecular formula C19H19ClN2OS3 and molecular weight 422.03 g/mol. IUPAC: 3-[(2-chlorophenyl)methylsulfanyl]-12,12-dimethyl-5-methylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE
Property Insights of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE
The XLogP value of 6.2102 indicates that 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-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 35.01 Ų, 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-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-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE?
The CAS number of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE is 799794-92-6.
What is the molecular formula of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE?
The molecular formula of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE is C19H19ClN2OS3.
What is the molecular weight of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE?
The molecular weight of 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE is 422.03 g/mol.
Where can I buy 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE?
You can request a quote for 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-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-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-CHLOROBENZYL [6,6-DIMETHYL-2-(METHYLSULFANYL)-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL] SULFIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.