![4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine structure](/static/products/848/848740-49-8.png)
4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
TL;DR: 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 848740-49-8) is a chemical compound with molecular formula C28H37N3OS2 and molecular weight 495.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperidin-1-yl)-5-butylsulfanyl-12-ethyl-12-methyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraene
Also Known As: 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine, 4-(4-benzylpiperidin-1-yl)-2-(butylthio)-6-ethyl-6-methyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
| Molecular Formula | C28H37N3OS2 |
|---|---|
| Molecular Weight | 495.24 g/mol |
| LogP | 7.284 |
| Topological Polar Surface Area | 38.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 495.2378 |
| Heavy Atoms | 34 |
| Complexity | 1107.7867 |
Chemical Identifiers
| CAS Number | 848740-49-8 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)CC)SC2=N1)N4CCC(CC4)CC5=CC=CC=C5 |
Product Overview
4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine (CAS 848740-49-8), with molecular formula C28H37N3OS2 and molecular weight 495.24 g/mol. IUPAC: 3-(4-benzylpiperidin-1-yl)-5-butylsulfanyl-12-ethyl-12-methyl-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-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
Property Insights of 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine
The XLogP value of 7.284 indicates that 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-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 38.25 Ų, 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-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, 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-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-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The CAS number of 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 848740-49-8.
What is the molecular formula of 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular formula of 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is C28H37N3OS2.
What is the molecular weight of 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
The molecular weight of 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine is 495.24 g/mol.
Where can I buy 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
You can request a quote for 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-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 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-benzylpiperidin-1-yl)-2-(butylsulfanyl)-6-ethyl-6-methyl-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.