![2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/328/328071-75-6.png)
2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 328071-75-6) is a chemical compound with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 2-[(3,4-dichlorobenzyl)sulfanyl]-6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C22H22Cl2N2O2S2 |
|---|---|
| Molecular Weight | 480.05 g/mol |
| LogP | 6.4845 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.05 |
| Heavy Atoms | 30 |
| Complexity | 1214.0485 |
Chemical Identifiers
| CAS Number | 328071-75-6 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC3=CC(=C(C=C3)Cl)Cl)SC4=C2CC(OC4)(C)C |
Product Overview
2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 328071-75-6), with molecular formula C22H22Cl2N2O2S2 and molecular weight 480.05 g/mol. IUPAC: 5-[(3,4-dichlorophenyl)methylsulfanyl]-12,12-dimethyl-4-(2-methylprop-2-enyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
Chemical Property Profile of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 6.4845 indicates that 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 328071-75-6.
What is the molecular formula of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C22H22Cl2N2O2S2.
What is the molecular weight of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 480.05 g/mol.
Where can I buy 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((3,4-dichlorobenzyl)thio)-6,6-dimethyl-3-(2-methylallyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.