![4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/577/577985-17-2.png)
4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 577985-17-2) is a chemical compound with molecular formula C21H23ClN2OS3 and molecular weight 450.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-chlorophenyl)methylsulfanyl]-12,12-dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene
Also Known As: 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[(4-chlorobenzyl)sulfanyl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C21H23ClN2OS3 |
|---|---|
| Molecular Weight | 450.07 g/mol |
| LogP | 6.9904 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.0661 |
| Heavy Atoms | 28 |
| Complexity | 985.47455 |
Chemical Identifiers
| CAS Number | 577985-17-2 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC4=CC=C(C=C4)Cl |
Product Overview
4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 577985-17-2), with molecular formula C21H23ClN2OS3 and molecular weight 450.07 g/mol. IUPAC: 3-[(4-chlorophenyl)methylsulfanyl]-12,12-dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene.
Chemical Property Profile of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 6.9904 indicates that 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.01 Ų, 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine 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 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 577985-17-2.
What is the molecular formula of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C21H23ClN2OS3.
What is the molecular weight of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 450.07 g/mol.
Where can I buy 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-((4-chlorobenzyl)thio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.