Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester
TL;DR: Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester (CAS 63233-99-8) is a chemical compound with molecular formula C13H25O6PS3 and molecular weight 404.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)butanedioate
Also Known As: Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester, diethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)butanedioate, Diethyl 2-({[(diethoxyphosphorothioyl)sulfanyl]methyl}sulfanyl)butanedioate, Dithiophosphoric acid O,O-diethyl S-[1,2-bis(ethoxycarbonyl)ethylthio]methyl ester, 1,4-diethyl 2-[({[diethoxy(sulfanylidene)-lambda5-phosphanyl]sulfanyl}methyl)sulfanyl]butanedioate
| Molecular Formula | C13H25O6PS3 |
|---|---|
| Molecular Weight | 404.06 g/mol |
| LogP | 3.5927 |
| Topological Polar Surface Area | 71.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 13 |
| Exact Mass | 404.05508 |
| Heavy Atoms | 23 |
| Complexity | 397.17108 |
Chemical Identifiers
| CAS Number | 63233-99-8 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SCSP(=S)(OCC)OCC |
Product Overview
Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester (CAS 63233-99-8), with molecular formula C13H25O6PS3 and molecular weight 404.06 g/mol. IUPAC: diethyl 2-(diethoxyphosphinothioylsulfanylmethylsulfanyl)butanedioate.
Chemical Property Profile of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester
Property Insights of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester
The XLogP value of 3.5927 indicates that Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester has 0 hydrogen bond donor(s) and 9 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 Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester?
The CAS number of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester is 63233-99-8.
What is the molecular formula of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester?
The molecular formula of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester is C13H25O6PS3.
What is the molecular weight of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester?
The molecular weight of Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester is 404.06 g/mol.
Where can I buy Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester?
You can request a quote for Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, ((((diethoxyphosphinothioyl)thio)methyl)thio)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.