Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester
TL;DR: Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester (CAS 3700-97-8) 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.
dipropyl 2-dimethoxyphosphorylsulfanylbutanedioate
Also Known As: Carb-N-propoxy malaoxon, Carb-n-propoxy maraoxon, dipropyl 2-[(dimethoxyphosphoryl)sulfanyl]butanedioate, O,O-Dimethyl S-(1,2-dicarb-n-propoxy)ethyl phosphorothioate, S-(1,2-Di-n-propoxycarbonyl)ethyl O,O-dimethyl phosphorothioate
| Molecular Formula | C12H23O7PS |
|---|---|
| Molecular Weight | 342.09 g/mol |
| LogP | 1.7 |
| 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 | 367.0 |
Chemical Identifiers
| CAS Number | 3700-97-8 |
|---|---|
| SMILES | CCCOC(=O)CC(C(=O)OCCC)SP(=O)(OC)OC |
| InChIKey | BVFRJUUBFALDGN-UHFFFAOYSA-N |
Product Overview
Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester (CAS 3700-97-8), with molecular formula C12H23O7PS and molecular weight 342.09 g/mol. IUPAC: dipropyl 2-dimethoxyphosphorylsulfanylbutanedioate.
Chemical Property Profile of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester
Property Insights of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester. Following Lipinski's Rule of Five, Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl 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 Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester?
The CAS number of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester is 3700-97-8.
What is the molecular formula of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester?
The molecular formula of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester is C12H23O7PS.
What is the molecular weight of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester?
The molecular weight of Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester is 342.09 g/mol.
Where can I buy Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester?
You can request a quote for Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosoporothioic acid, O,O-dimethyl S-(1,2-dipropoxycarbonyl)ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.