Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-
TL;DR: Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- (CAS 21058-56-0) is a chemical compound with molecular formula C12H23O7PS and molecular weight 342.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-diethoxyphosphorylsulfanylbutanedioate
Also Known As: Diethyl malaoxon, Succinate malaoxon, [ thio]succinicaciddiethylester, diethyl 2-diethoxyphosphorylsulfanylbutanedioate, Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-
| Molecular Formula | C12H23O7PS |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 13 |
| Exact Mass | 342.0902 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 21058-56-0 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)SP(=O)(OCC)OCC |
| InChIKey | HBEQFTAWJVJQSJ-UHFFFAOYSA-N |
Product Overview
Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- (CAS 21058-56-0), with molecular formula C12H23O7PS and molecular weight 342.09 g/mol. IUPAC: diethyl 2-diethoxyphosphorylsulfanylbutanedioate.
Chemical Property Profile of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-
Property Insights of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-. Following Lipinski's Rule of Five, Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- has 0 hydrogen bond donor(s) and 8 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, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-?
The CAS number of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- is 21058-56-0.
What is the molecular formula of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-?
The molecular formula of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- is C12H23O7PS.
What is the molecular weight of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-?
The molecular weight of Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- is 342.09 g/mol.
Where can I buy Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-?
You can request a quote for Butanedioic acid, ((diethoxyphosphinyl)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, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)-?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, ((diethoxyphosphinyl)thio)-, diethyl ester, (+)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.