KST-1A9909
TL;DR: KST-1A9909 (CAS 104153-59-5) is a chemical compound with molecular formula C21H31ClO2P2S and molecular weight 444.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-methylsulfanyl-phenylphosphanium chloride
Also Known As: KST-1A9909, 1,3-di-tert-butyl-1-(methylsulfanyl)-1,3-diphenyldiphosphoxan-1-ium 3-oxide chloride, tert-Butyl-(tert-butyl(phenyl)phosphoryl)oxy(methylthio)phenylphosphonium chloride, Phosphinic acid, (1,1-dimethylethyl)phenyl)-, phosphorus complex, Phosphorus(1+), (1,1-dimethylethyl)((1,1-dimethylethyl) phenylphosphinato-O)(methanethiolato)phenyl-, chloride, (T-4)-
| Molecular Formula | C21H31ClO2P2S |
|---|---|
| Molecular Weight | 444.12 g/mol |
| LogP | 3.7437 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 444.12085 |
| Heavy Atoms | 27 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 104153-59-5 |
|---|---|
| SMILES | CC(C)(C)P(=O)(C1=CC=CC=C1)O[P+](C2=CC=CC=C2)(C(C)(C)C)SC.[Cl-] |
| InChIKey | PUALHOMRZRWGMY-UHFFFAOYSA-M |
Product Overview
KST-1A9909 (CAS 104153-59-5), with molecular formula C21H31ClO2P2S and molecular weight 444.12 g/mol. IUPAC: tert-butyl-[tert-butyl(phenyl)phosphoryl]oxy-methylsulfanyl-phenylphosphanium chloride.
Chemical Property Profile of KST-1A9909
Property Insights of KST-1A9909
The XLogP value of 3.7437 indicates that KST-1A9909 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, KST-1A9909 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, KST-1A9909 has 0 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 KST-1A9909?
The CAS number of KST-1A9909 is 104153-59-5.
What is the molecular formula of KST-1A9909?
The molecular formula of KST-1A9909 is C21H31ClO2P2S.
What is the molecular weight of KST-1A9909?
The molecular weight of KST-1A9909 is 444.12 g/mol.
Where can I buy KST-1A9909?
You can request a quote for KST-1A9909 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for KST-1A9909?
Yes, KEHONG BIO provides custom synthesis services for KST-1A9909 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.