1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate
TL;DR: 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate (CAS 27591-74-8) is a chemical compound with molecular formula C16H23O6P and molecular weight 342.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl 3-diethoxyphosphoryloxybut-2-enoate
Also Known As: 1-phenylethyl 3-diethoxyphosphoryloxybut-2-enoate, cis-2-(1-Phenylethoxy)carbonyl-1-methylvinyl diethylphosphate
| Molecular Formula | C16H23O6P |
|---|---|
| Molecular Weight | 342.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 342.12323 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 27591-74-8 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=CC(=O)OC(C)C1=CC=CC=C1)C |
| InChIKey | XBMYITJFLVDXEE-UHFFFAOYSA-N |
Product Overview
1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate (CAS 27591-74-8), with molecular formula C16H23O6P and molecular weight 342.12 g/mol. IUPAC: 1-phenylethyl 3-diethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate
Property Insights of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate
The XLogP value of 4.0 indicates that 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate. Following Lipinski's Rule of Five, 1-Phenylethyl 3-diethoxyphosphoryloxybut-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 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate?
The CAS number of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate is 27591-74-8.
What is the molecular formula of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate?
The molecular formula of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate is C16H23O6P.
What is the molecular weight of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate?
The molecular weight of 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate is 342.12 g/mol.
Where can I buy 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate?
You can request a quote for 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethyl 3-diethoxyphosphoryloxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.