![3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione structure](/static/products/879/879861-39-9.png)
3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione
TL;DR: 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione (CAS 879861-39-9) is a chemical compound with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(dimethylamino)phenyl]methyl]-1,1-dioxothiolan-3-amine
Also Known As: 3-({[4-(dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione, 3-((4-(Dimethylamino)benzyl)amino)tetrahydrothiophene 1,1-dioxide, N-[(4-dimethylaminophenyl)methyl]-1,1-dioxothiolan-3-amine, 3-({[4-(dimethylamino)phenyl]methyl}amino)thiolane-1,1-dione, N-[(4-dimethylaminophenyl)methyl]-1,1-dioxo-thiolan-3-amine
| Molecular Formula | C13H20N2O2S |
|---|---|
| Molecular Weight | 268.12 g/mol |
| LogP | 1.0293 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.12454 |
| Heavy Atoms | 18 |
| Complexity | 494.22745 |
Chemical Identifiers
| CAS Number | 879861-39-9 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)CNC2CCS(=O)(=O)C2 |
Product Overview
3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione (CAS 879861-39-9), with molecular formula C13H20N2O2S and molecular weight 268.12 g/mol. IUPAC: N-[[4-(dimethylamino)phenyl]methyl]-1,1-dioxothiolan-3-amine.
Chemical Property Profile of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione
Property Insights of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione
The XLogP value of 1.0293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione. With a topological polar surface area (TPSA) of 49.41 Ų, 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione 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 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione?
The CAS number of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione is 879861-39-9.
What is the molecular formula of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione?
The molecular formula of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione is C13H20N2O2S.
What is the molecular weight of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione?
The molecular weight of 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione is 268.12 g/mol.
Where can I buy 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione?
You can request a quote for 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-({[4-(Dimethylamino)phenyl]methyl}amino)-1$l^{6}-thiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.