![2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/846/846591-51-3.png)
2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 846591-51-3) is a chemical compound with molecular formula C19H28N4OS2 and molecular weight 392.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-butylsulfanyl-12,12-dimethyl-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: 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 2-(butylthio)-6,6-dimethyl-4-(piperazin-1-yl)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C19H28N4OS2 |
|---|---|
| Molecular Weight | 392.17 g/mol |
| LogP | 3.8444 |
| Topological Polar Surface Area | 50.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.17044 |
| Heavy Atoms | 26 |
| Complexity | 783.42737 |
Chemical Identifiers
| CAS Number | 846591-51-3 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)N4CCNCC4 |
Product Overview
2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 846591-51-3), with molecular formula C19H28N4OS2 and molecular weight 392.17 g/mol. IUPAC: 5-butylsulfanyl-12,12-dimethyl-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 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 3.8444 indicates that 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-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 50.28 Ų, 2-(butylsulfanyl)-6,6-dimethyl-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, 2-(butylsulfanyl)-6,6-dimethyl-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 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 846591-51-3.
What is the molecular formula of 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C19H28N4OS2.
What is the molecular weight of 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 392.17 g/mol.
Where can I buy 2-(butylsulfanyl)-6,6-dimethyl-4-(piperazin-1-yl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 2-(butylsulfanyl)-6,6-dimethyl-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 2-(butylsulfanyl)-6,6-dimethyl-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 2-(butylsulfanyl)-6,6-dimethyl-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.