![6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one structure](/static/products/314/314042-10-9.png)
6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
TL;DR: 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 314042-10-9) is a chemical compound with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-4-(2-methylprop-2-enyl)-5-prop-2-ynylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one, 6,6-dimethyl-3-(2-methylprop-2-en-1-yl)-2-(prop-2-yn-1-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C18H20N2O2S2 |
|---|---|
| Molecular Weight | 360.10 g/mol |
| LogP | 3.6107 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 360.09662 |
| Heavy Atoms | 24 |
| Complexity | 915.7124 |
Chemical Identifiers
| CAS Number | 314042-10-9 |
|---|---|
| SMILES | CC(=C)CN1C(=O)C2=C(N=C1SCC#C)SC3=C2CC(OC3)(C)C |
Product Overview
6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one (CAS 314042-10-9), with molecular formula C18H20N2O2S2 and molecular weight 360.10 g/mol. IUPAC: 12,12-dimethyl-4-(2-methylprop-2-enyl)-5-prop-2-ynylsulfanyl-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 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
Property Insights of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
The XLogP value of 3.6107 indicates that 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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, 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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, 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The CAS number of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 314042-10-9.
What is the molecular formula of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular formula of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is C18H20N2O2S2.
What is the molecular weight of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
The molecular weight of 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one is 360.10 g/mol.
Where can I buy 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one?
You can request a quote for 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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 6,6-dimethyl-3-(2-methylallyl)-2-(prop-2-yn-1-ylthio)-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.