Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)
TL;DR: Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) (CAS 60028-25-3) is a chemical compound with molecular formula C6H12NO3PS and molecular weight 209.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-sulfanylidene-2,8,9-trioxa-5-aza-1λ5-phosphabicyclo[3.3.3]undecane
Also Known As: 5-sulfanylidene-4,6,11-trioxa-1-aza-5, Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1), J2.052.460J, 2,2',2''-Nitrilotriethanol, cyclic phosphorothioate (1:1), 2,2',2"-Nitrilotriethanol, cyclic phosphorothioate (1:1)
| Molecular Formula | C6H12NO3PS |
|---|---|
| Molecular Weight | 209.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.02756 |
| Heavy Atoms | 12 |
| Complexity | 180.0 |
Chemical Identifiers
| CAS Number | 60028-25-3 |
|---|---|
| SMILES | C1COP2(=S)OCCN1CCO2 |
| InChIKey | RDOLTIQPWPKPFH-UHFFFAOYSA-N |
Product Overview
Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) (CAS 60028-25-3), with molecular formula C6H12NO3PS and molecular weight 209.03 g/mol. IUPAC: 1-sulfanylidene-2,8,9-trioxa-5-aza-1λ5-phosphabicyclo[3.3.3]undecane.
Chemical Property Profile of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)
Property Insights of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1). The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1). Following Lipinski's Rule of Five, Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) has 0 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 Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)?
The CAS number of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) is 60028-25-3.
What is the molecular formula of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)?
The molecular formula of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) is C6H12NO3PS.
What is the molecular weight of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)?
The molecular weight of Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) is 209.03 g/mol.
Where can I buy Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)?
You can request a quote for Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2,2',2''-nitrilotri-, cyclic phosphorothioate (1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.