Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester
TL;DR: Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester (CAS 53123-68-5) is a chemical compound with molecular formula C20H41O4PS2 and molecular weight 440.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[bis(6-methylheptoxy)phosphinothioylsulfanyl]propanoate
Also Known As: Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester, O,O-Diisooctyl-S-(2-carbomethoxyethyl) phosphorodithioate, methyl 3-[bis(6-methylheptoxy)phosphinothioylsulfanyl]propanoate, Methyl 3-({bis[(6-methylheptyl)oxy]phosphorothioyl}sulfanyl)propanoate, Propanoic acid, 3-[[bis(isooctyloxy)phosphinothioyl]thio]-, methyl ester
| Molecular Formula | C20H41O4PS2 |
|---|---|
| Molecular Weight | 440.22 g/mol |
| LogP | 6.9732 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 440.21838 |
| Heavy Atoms | 27 |
| Complexity | 392.7859 |
Chemical Identifiers
| CAS Number | 53123-68-5 |
|---|---|
| SMILES | CC(C)CCCCCOP(=S)(OCCCCCC(C)C)SCCC(=O)OC |
Product Overview
Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester (CAS 53123-68-5), with molecular formula C20H41O4PS2 and molecular weight 440.22 g/mol. IUPAC: methyl 3-[bis(6-methylheptoxy)phosphinothioylsulfanyl]propanoate.
Chemical Property Profile of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester
Property Insights of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester
The XLogP value of 6.9732 indicates that Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester?
The CAS number of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester is 53123-68-5.
What is the molecular formula of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester?
The molecular formula of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester is C20H41O4PS2.
What is the molecular weight of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester?
The molecular weight of Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester is 440.22 g/mol.
Where can I buy Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester?
You can request a quote for Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 3-((bis(isooctyloxy)phosphinothioyl)thio)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.