![N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine structure](/static/products/847/847182-99-4.png)
N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine
TL;DR: N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine (CAS 847182-99-4) is a chemical compound with molecular formula C21H34N4OS2 and molecular weight 422.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(5-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-N',N'-diethylethane-1,2-diamine
Also Known As: N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine, N1-(2-(butylthio)-6,6-dimethyl-6,8-dihydro-5H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl)-N2,N2-diethylethane-1,2-diamine
| Molecular Formula | C21H34N4OS2 |
|---|---|
| Molecular Weight | 422.22 g/mol |
| LogP | 5.1885 |
| Topological Polar Surface Area | 50.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.2174 |
| Heavy Atoms | 28 |
| Complexity | 786.2938 |
Chemical Identifiers
| CAS Number | 847182-99-4 |
|---|---|
| SMILES | CCCCSC1=NC(=C2C3=C(COC(C3)(C)C)SC2=N1)NCCN(CC)CC |
Product Overview
N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine (CAS 847182-99-4), with molecular formula C21H34N4OS2 and molecular weight 422.22 g/mol. IUPAC: N-(5-butylsulfanyl-12,12-dimethyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-3-yl)-N',N'-diethylethane-1,2-diamine.
Chemical Property Profile of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine
Property Insights of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine
The XLogP value of 5.1885 indicates that N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-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'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine has 1 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 N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine?
The CAS number of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine is 847182-99-4.
What is the molecular formula of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine?
The molecular formula of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine is C21H34N4OS2.
What is the molecular weight of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine?
The molecular weight of N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine is 422.22 g/mol.
Where can I buy N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine?
You can request a quote for N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine?
Yes, KEHONG BIO provides custom synthesis services for N'-[2-(butylsulfanyl)-6,6-dimethyl-5,8-dihydro-6H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-yl]-N,N-diethylethane-1,2-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.