![6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/844/844648-51-7.png)
6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 844648-51-7) is a chemical compound with molecular formula C16H22N4OS2 and molecular weight 350.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12,12-dimethyl-5-methylsulfanyl-3-piperazin-1-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
Also Known As: 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 6,6-dimethyl-2-(methylthio)-4-(piperazin-1-yl)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C16H22N4OS2 |
|---|---|
| Molecular Weight | 350.12 g/mol |
| LogP | 2.6741 |
| Topological Polar Surface Area | 50.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.1235 |
| Heavy Atoms | 23 |
| Complexity | 737.2457 |
Chemical Identifiers
| CAS Number | 844648-51-7 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)N4CCNCC4)SC)C |
Product Overview
6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 844648-51-7), with molecular formula C16H22N4OS2 and molecular weight 350.12 g/mol. IUPAC: 12,12-dimethyl-5-methylsulfanyl-3-piperazin-1-yl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
Chemical Property Profile of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 2.6741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine. With a topological polar surface area (TPSA) of 50.28 Ų, 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-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, 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine has 1 hydrogen bond donor(s) and 7 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-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 844648-51-7.
What is the molecular formula of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C16H22N4OS2.
What is the molecular weight of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 350.12 g/mol.
Where can I buy 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-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 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 6,6-dimethyl-2-(methylsulfanyl)-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.