2,3-Bis(hexanoylthio)propylphosphomethanol
TL;DR: 2,3-Bis(hexanoylthio)propylphosphomethanol (CAS 127572-15-0) is a chemical compound with molecular formula C16H31O6PS2 and molecular weight 414.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3,4-bis(hexanoylsulfanyl)-1-hydroxybutyl]phosphonic acid
Also Known As: Dic6-thiopme, 2,3-Bis(hexanoylthio)propylphosphomethanol, Anthracene,9-bromo-10-cyclopropyl, [3,4-bis(hexanoylsulfanyl)-1-hydroxybutyl]phosphonic acid, Hexanethioic acid, S,S'-(1-(((hydroxymethoxyphosphinyl)oxy)methyl)-1,2-ethanediyl) ester, (+-)-
Technical Specifications
| Molecular Formula | C16H31O6PS2 |
| Molecular Weight | 414.12997 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 163.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 16 |
| Exact Mass | 414.12997 Da |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
| SMILES | CCCCCC(=O)SCC(CC(O)P(=O)(O)O)SC(=O)CCCCC |
| InChIKey | OXPVZLDZKDHDMC-UHFFFAOYSA-N |
Chemical Property Profile of 2,3-Bis(hexanoylthio)propylphosphomethanol
Property Insights of 2,3-Bis(hexanoylthio)propylphosphomethanol
The XLogP value of 3.0 indicates that 2,3-Bis(hexanoylthio)propylphosphomethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 163.0 Ų indicates high polarity, suggesting 2,3-Bis(hexanoylthio)propylphosphomethanol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,3-Bis(hexanoylthio)propylphosphomethanol has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3-Bis(hexanoylthio)propylphosphomethanol?
The CAS number of 2,3-Bis(hexanoylthio)propylphosphomethanol is 127572-15-0.
What is the molecular formula of 2,3-Bis(hexanoylthio)propylphosphomethanol?
The molecular formula of 2,3-Bis(hexanoylthio)propylphosphomethanol is C16H31O6PS2.
What is the molecular weight of 2,3-Bis(hexanoylthio)propylphosphomethanol?
The molecular weight of 2,3-Bis(hexanoylthio)propylphosphomethanol is 414.12997 g/mol.
Where can I buy 2,3-Bis(hexanoylthio)propylphosphomethanol?
You can request a quote for 2,3-Bis(hexanoylthio)propylphosphomethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3-Bis(hexanoylthio)propylphosphomethanol?
Yes, CoreyChem provides custom synthesis services for 2,3-Bis(hexanoylthio)propylphosphomethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.