![N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine structure](/static/products/848/848062-45-3.png)
N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
TL;DR: N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine (CAS 848062-45-3) is a chemical compound with molecular formula C20H32N4OS2 and molecular weight 408.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N',N'-diethyl-N-(5-ethylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)propane-1,3-diamine
Also Known As: N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine, N1,N1-diethyl-N3-(2-(ethylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)propane-1,3-diamine
| Molecular Formula | C20H32N4OS2 |
|---|---|
| Molecular Weight | 408.20 g/mol |
| LogP | 4.7984 |
| Topological Polar Surface Area | 50.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.20175 |
| Heavy Atoms | 27 |
| Complexity | 770.9177 |
Chemical Identifiers
| CAS Number | 848062-45-3 |
|---|---|
| SMILES | CCN(CC)CCCNC1=C2C3=C(COC(C3)(C)C)SC2=NC(=N1)SCC |
Product Overview
N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine (CAS 848062-45-3), with molecular formula C20H32N4OS2 and molecular weight 408.20 g/mol. IUPAC: N',N'-diethyl-N-(5-ethylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)propane-1,3-diamine.
Chemical Property Profile of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
Property Insights of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
The XLogP value of 4.7984 indicates that N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.28 Ų, N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine 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 N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The CAS number of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is 848062-45-3.
What is the molecular formula of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The molecular formula of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is C20H32N4OS2.
What is the molecular weight of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
The molecular weight of N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine is 408.20 g/mol.
Where can I buy N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
You can request a quote for N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N,N-diethyl-N'-[2-(ethylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.