N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
TL;DR: N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine (CAS 626205-40-1) is a chemical compound with molecular formula C11H24N2O2S and molecular weight 248.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
Also Known As: BAS 01426104, N'-(1,1-Dioxo-tetrahydro-1lambda*6*-thiophen-3-yl)-N,N-diethyl-propane-1,3-diamine, N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine, 3-{[3-(diethylamino)propyl]amino}thiolane-1,1-dione, 3-{[3-(diethylamino)propyl]amino}-1-hydroxythiolan-1-one
| Molecular Formula | C11H24N2O2S |
|---|---|
| Molecular Weight | 248.16 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 248.15585 |
| Heavy Atoms | 16 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 626205-40-1 |
|---|---|
| SMILES | CCN(CC)CCCNC1CCS(=O)(=O)C1 |
| InChIKey | SPLKEQUSHJHMGF-UHFFFAOYSA-N |
Product Overview
N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine (CAS 626205-40-1), with molecular formula C11H24N2O2S and molecular weight 248.16 g/mol. IUPAC: N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine.
Chemical Property Profile of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
Property Insights of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine. With a topological polar surface area (TPSA) of 57.8 Ų, N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine has 1 hydrogen bond donor(s) and 4 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-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine?
The CAS number of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine is 626205-40-1.
What is the molecular formula of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine?
The molecular formula of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine is C11H24N2O2S.
What is the molecular weight of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine?
The molecular weight of N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine is 248.16 g/mol.
Where can I buy N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine?
You can request a quote for N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-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-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,1-dioxothiolan-3-yl)-N',N'-diethylpropane-1,3-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.