Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester
TL;DR: Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester (CAS 3700-98-9) is a chemical compound with molecular formula C14H27O7PS and molecular weight 370.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2-dimethoxyphosphorylsulfanylbutanedioate
Also Known As: Carb-N-butoxy malaoxon, dibutyl 2-[(dimethoxyphosphoryl)sulfanyl]butanedioate, dibutyl 2-dimethoxyphosphorylsulfanylbutanedioate, S-(1,2-Dibutoxycarbonyl)ethyl O,O-dimethyl phosphorothioate, Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester
| Molecular Formula | C14H27O7PS |
|---|---|
| Molecular Weight | 370.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 15 |
| Exact Mass | 370.12152 |
| Heavy Atoms | 23 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 3700-98-9 |
|---|---|
| SMILES | CCCCOC(=O)CC(C(=O)OCCCC)SP(=O)(OC)OC |
| InChIKey | BBAFBNIWIFHJBM-UHFFFAOYSA-N |
Product Overview
Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester (CAS 3700-98-9), with molecular formula C14H27O7PS and molecular weight 370.12 g/mol. IUPAC: dibutyl 2-dimethoxyphosphorylsulfanylbutanedioate.
Chemical Property Profile of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester
Property Insights of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl 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 Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester?
The CAS number of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester is 3700-98-9.
What is the molecular formula of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester?
The molecular formula of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester is C14H27O7PS.
What is the molecular weight of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester?
The molecular weight of Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester is 370.12 g/mol.
Where can I buy Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester?
You can request a quote for Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, S-(1,2-dibutoxycarbonyl)ethyl O,O-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.