![4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/587/587013-64-7.png)
4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 587013-64-7) is a chemical compound with molecular formula C17H22N2OS3 and molecular weight 366.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-3-prop-2-enylsulfanyl-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-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6,6-dimethyl-4-(prop-2-en-1-ylsulfanyl)-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C17H22N2OS3 |
|---|---|
| Molecular Weight | 366.09 g/mol |
| LogP | 5.3228 |
| Topological Polar Surface Area | 35.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 366.08942 |
| Heavy Atoms | 23 |
| Complexity | 724.1871 |
Chemical Identifiers
| CAS Number | 587013-64-7 |
|---|---|
| SMILES | CCCSC1=NC2=C(C3=C(S2)COC(C3)(C)C)C(=N1)SCC=C |
Product Overview
4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 587013-64-7), with molecular formula C17H22N2OS3 and molecular weight 366.09 g/mol. IUPAC: 12,12-dimethyl-3-prop-2-enylsulfanyl-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-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 5.3228 indicates that 4-(allylthio)-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-(allylthio)-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-(allylthio)-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-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 587013-64-7.
What is the molecular formula of 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C17H22N2OS3.
What is the molecular weight of 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-(allylthio)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 366.09 g/mol.
Where can I buy 4-(allylthio)-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-(allylthio)-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-(allylthio)-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-(allylthio)-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.