![4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/846/846595-01-5.png)
4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 846595-01-5) is a chemical compound with molecular formula C31H36N4OS2 and molecular weight 544.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzhydrylpiperazin-1-yl)-12,12-dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
Also Known As: 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-[4-(diphenylmethyl)piperazin-1-yl]-6,6-dimethyl-2-(propylsulfanyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C31H36N4OS2 |
|---|---|
| Molecular Weight | 544.23 g/mol |
| LogP | 6.9563 |
| Topological Polar Surface Area | 41.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 544.23303 |
| Heavy Atoms | 38 |
| Complexity | 1342.0391 |
Chemical Identifiers
| CAS Number | 846595-01-5 |
|---|---|
| SMILES | CCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)N4CCN(CC4)C(C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 846595-01-5), with molecular formula C31H36N4OS2 and molecular weight 544.23 g/mol. IUPAC: 3-(4-benzhydrylpiperazin-1-yl)-12,12-dimethyl-5-propylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene.
Chemical Property Profile of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 6.9563 indicates that 4-(4-benzhydrylpiperazin-1-yl)-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 41.49 Ų, 4-(4-benzhydrylpiperazin-1-yl)-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-(4-benzhydrylpiperazin-1-yl)-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 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 846595-01-5.
What is the molecular formula of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C31H36N4OS2.
What is the molecular weight of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-(4-benzhydrylpiperazin-1-yl)-6,6-dimethyl-2-(propylthio)-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 544.23 g/mol.
Where can I buy 4-(4-benzhydrylpiperazin-1-yl)-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-(4-benzhydrylpiperazin-1-yl)-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-(4-benzhydrylpiperazin-1-yl)-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-(4-benzhydrylpiperazin-1-yl)-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.