3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester
TL;DR: 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester (CAS 63992-57-4) is a chemical compound with molecular formula C15H21O6P and molecular weight 328.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-diethoxyphosphoryloxybut-2-enoate
Also Known As: 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester
| Molecular Formula | C15H21O6P |
|---|---|
| Molecular Weight | 328.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 328.10757 |
| Heavy Atoms | 22 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 63992-57-4 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC(=CC(=O)OCC1=CC=CC=C1)C |
| InChIKey | LQGAGBBSOPQMNO-UHFFFAOYSA-N |
Product Overview
3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester (CAS 63992-57-4), with molecular formula C15H21O6P and molecular weight 328.11 g/mol. IUPAC: benzyl 3-diethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester
Property Insights of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester. Following Lipinski's Rule of Five, 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester 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 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester?
The CAS number of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester is 63992-57-4.
What is the molecular formula of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester?
The molecular formula of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester is C15H21O6P.
What is the molecular weight of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester?
The molecular weight of 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester is 328.11 g/mol.
Where can I buy 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester?
You can request a quote for 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(Diethoxyphosphinyloxy)-2-butenoic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.