Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester
TL;DR: Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester (CAS 68906-22-9) is a chemical compound with molecular formula C8H14O6PS2+ and molecular weight 301.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxysulfanyl-oxophosphanium
Also Known As: Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester, (1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxysulfanyl-oxophosphanium
| Molecular Formula | C8H14O6PS2+ |
|---|---|
| Molecular Weight | 301.00 g/mol |
| LogP | 2.4681 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 300.99695 |
| Heavy Atoms | 17 |
| Complexity | 285.18896 |
Chemical Identifiers
| CAS Number | 68906-22-9 |
|---|---|
| SMILES | CCOC(=O)CC(C(=O)OCC)S[P+](=O)SO |
Product Overview
Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester (CAS 68906-22-9), with molecular formula C8H14O6PS2+ and molecular weight 301.00 g/mol. IUPAC: (1,4-diethoxy-1,4-dioxobutan-2-yl)sulfanyl-hydroxysulfanyl-oxophosphanium.
Chemical Property Profile of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester
Property Insights of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester
The XLogP value of 2.4681 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester. Following Lipinski's Rule of Five, Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester has 1 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, ((hydroxymercaptophosphinyl)thio)-, diethyl ester?
The CAS number of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester is 68906-22-9.
What is the molecular formula of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester?
The molecular formula of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester is C8H14O6PS2+.
What is the molecular weight of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester?
The molecular weight of Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester is 301.00 g/mol.
Where can I buy Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester?
You can request a quote for Butanedioic acid, ((hydroxymercaptophosphinyl)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, ((hydroxymercaptophosphinyl)thio)-, diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanedioic acid, ((hydroxymercaptophosphinyl)thio)-, diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.