![2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine structure](/static/products/587/587007-55-4.png)
2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
TL;DR: 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 587007-55-4) is a chemical compound with molecular formula C26H27N3OS2 and molecular weight 461.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzylsulfanyl-12,12-dimethyl-N-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine
Also Known As: 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, 2-(benzylthio)-6,6-dimethyl-N-phenethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine, N-[2-(BENZYLSULFANYL)-6,6-DIMETHYL-5,8-DIHYDRO-6H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-YL]-N-PHENETHYLAMINE
| Molecular Formula | C26H27N3OS2 |
|---|---|
| Molecular Weight | 461.16 g/mol |
| LogP | 6.4895 |
| Topological Polar Surface Area | 47.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 461.15955 |
| Heavy Atoms | 32 |
| Complexity | 1206.2144 |
Chemical Identifiers
| CAS Number | 587007-55-4 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=NC(=NC(=C23)NCCC4=CC=CC=C4)SCC5=CC=CC=C5)C |
Product Overview
2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine (CAS 587007-55-4), with molecular formula C26H27N3OS2 and molecular weight 461.16 g/mol. IUPAC: 5-benzylsulfanyl-12,12-dimethyl-N-(2-phenylethyl)-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-amine.
Chemical Property Profile of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
Property Insights of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine
The XLogP value of 6.4895 indicates that 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.04 Ų, 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine has 1 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 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The CAS number of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 587007-55-4.
What is the molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular formula of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is C26H27N3OS2.
What is the molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
The molecular weight of 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine is 461.16 g/mol.
Where can I buy 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
You can request a quote for 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine?
Yes, KEHONG BIO provides custom synthesis services for 2-(benzylsulfanyl)-6,6-dimethyl-N-(2-phenylethyl)-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.