Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
TL;DR: Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate (CAS 88351-08-0) is a chemical compound with molecular formula C18H19O5PS and molecular weight 378.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
Also Known As: 2-Butenoic acid, 3-[(diphenoxyphosphinyl)thio]-, ethyl ester, Ethyl 3-[(diphenoxyphosphoryl)sulfanyl]but-2-enoate
| Molecular Formula | C18H19O5PS |
|---|---|
| Molecular Weight | 378.07 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 378.0691 |
| Heavy Atoms | 25 |
| Complexity | 472.0 |
Chemical Identifiers
| CAS Number | 88351-08-0 |
|---|---|
| SMILES | CCOC(=O)C=C(C)SP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2 |
| InChIKey | OYUAWWJTKAXTEU-UHFFFAOYSA-N |
Product Overview
Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate (CAS 88351-08-0), with molecular formula C18H19O5PS and molecular weight 378.07 g/mol. IUPAC: ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate.
Chemical Property Profile of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
Property Insights of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate
The XLogP value of 4.3 indicates that Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate. Following Lipinski's Rule of Five, Ethyl 3-diphenoxyphosphorylsulfanylbut-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 Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate?
The CAS number of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate is 88351-08-0.
What is the molecular formula of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate?
The molecular formula of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate is C18H19O5PS.
What is the molecular weight of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate?
The molecular weight of Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate is 378.07 g/mol.
Where can I buy Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate?
You can request a quote for Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-diphenoxyphosphorylsulfanylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.