C7H17O4PS2
TL;DR: C7H17O4PS2 (CAS 115-94-6) is a chemical compound with molecular formula C7H17O4PS2 and molecular weight 260.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-dimethoxyphosphorylsulfanylsulfinyl-3-methylbutane
Also Known As: 1-dimethoxyphosphorylsulfanylsulfinyl-3-methylbutane, 1-dimethoxyphosphorylsulfanylsulfinyl-3-methyl-butane, 1-Butanesulfinothioic acid, 3-methyl-, anhydrosulfide with O,O-dimethylphosphorothioate, 1-Butanesulfinic acid, 3-methylthio-, anhydrosulfide with O,O-dimethyl phosphorothioate, 1-Butanesulfinothioic acid, 3-methyl-, anhydrosulfide with O,O-dimethyl phosphorothioate
| Molecular Formula | C7H17O4PS2 |
|---|---|
| Molecular Weight | 260.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 97.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 260.03058 |
| Heavy Atoms | 14 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 115-94-6 |
|---|---|
| SMILES | CC(C)CCS(=O)SP(=O)(OC)OC |
| InChIKey | GINRGZIWHKUNIY-UHFFFAOYSA-N |
Product Overview
C7H17O4PS2 (CAS 115-94-6), with molecular formula C7H17O4PS2 and molecular weight 260.03 g/mol. IUPAC: 1-dimethoxyphosphorylsulfanylsulfinyl-3-methylbutane.
Chemical Property Profile of C7H17O4PS2
Property Insights of C7H17O4PS2
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C7H17O4PS2. The TPSA of 97.1 Ų falls within the moderate polarity range, balancing permeability and solubility for C7H17O4PS2. Following Lipinski's Rule of Five, C7H17O4PS2 has 0 hydrogen bond donor(s) and 6 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 C7H17O4PS2?
The CAS number of C7H17O4PS2 is 115-94-6.
What is the molecular formula of C7H17O4PS2?
The molecular formula of C7H17O4PS2 is C7H17O4PS2.
What is the molecular weight of C7H17O4PS2?
The molecular weight of C7H17O4PS2 is 260.03 g/mol.
Where can I buy C7H17O4PS2?
You can request a quote for C7H17O4PS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C7H17O4PS2?
Yes, KEHONG BIO provides custom synthesis services for C7H17O4PS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.