4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
TL;DR: 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol (CAS 487019-13-6) is a chemical compound with molecular formula C9H20N2O3S and molecular weight 236.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
Also Known As: BAS 01426142, 4-[3-(dimethylamino)propylamino]-1,1-dioxothiolan-3-ol, 4-{[3-(dimethylamino)propyl]amino}-1,3-dihydroxythiolan-1-one, 3-{[3-(dimethylamino)propyl]amino}-4-hydroxy-1$l^{6}-thiolane-1,1-dione, 4-(3-Dimethylamino-propylamino)-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-ol
| Molecular Formula | C9H20N2O3S |
|---|---|
| Molecular Weight | 236.12 g/mol |
| LogP | -1.3144 |
| Topological Polar Surface Area | 69.64 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.11946 |
| Heavy Atoms | 15 |
| Complexity | 289.73257 |
Chemical Identifiers
| CAS Number | 487019-13-6 |
|---|---|
| SMILES | CN(C)CCCNC1CS(=O)(=O)CC1O |
Product Overview
4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol (CAS 487019-13-6), with molecular formula C9H20N2O3S and molecular weight 236.12 g/mol. IUPAC: 4-[3-(dimethylamino)propylamino]-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
Property Insights of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol
The XLogP value of -1.3144 indicates that 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol. Following Lipinski's Rule of Five, 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol has 2 hydrogen bond donor(s) and 5 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 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol?
The CAS number of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol is 487019-13-6.
What is the molecular formula of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol?
The molecular formula of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol is C9H20N2O3S.
What is the molecular weight of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol?
The molecular weight of 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol is 236.12 g/mol.
Where can I buy 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol?
You can request a quote for 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(Dimethylamino)propylamino]-1,1-dioxothiolan-3-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.