![Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate structure](/static/products/5711/57113-19-6.webp)
Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate
TL;DR: Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate (CAS 57113-19-6) is a chemical compound with molecular formula C9H17O5PS and molecular weight 268.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-diethoxyphosphinothioyloxybut-2-enoate
Also Known As: methyl 3-diethoxyphosphinothioyloxybut-2-enoate, Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate, 2-Butenoic acid 3-(diethoxyphosphinothioyl)methyl ester, 2-Butenoic acid, 3-[(diethoxyphosphinothioyl)oxy]-, methyl ester, (E)-, 2-Butenoic acid, 3-[(diethoxyphosphinothioyl)oxy]-, methyl ester, (Z)-
| Molecular Formula | C9H17O5PS |
|---|---|
| Molecular Weight | 268.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 268.05344 |
| Heavy Atoms | 16 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 57113-19-6 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC(=CC(=O)OC)C |
| InChIKey | IPDDIRXDRFQIQW-UHFFFAOYSA-N |
Product Overview
Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate (CAS 57113-19-6), with molecular formula C9H17O5PS and molecular weight 268.05 g/mol. IUPAC: methyl 3-diethoxyphosphinothioyloxybut-2-enoate.
Chemical Property Profile of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate
Property Insights of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate. Following Lipinski's Rule of Five, Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate has 0 hydrogen bond donor(s) and 6 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 Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate?
The CAS number of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate is 57113-19-6.
What is the molecular formula of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate?
The molecular formula of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate is C9H17O5PS.
What is the molecular weight of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate?
The molecular weight of Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate is 268.05 g/mol.
Where can I buy Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate?
You can request a quote for Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(diethoxyphosphorothioyl)oxy]but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.