3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester
TL;DR: 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester (CAS 63992-58-5) is a chemical compound with molecular formula C18H19O6P and molecular weight 362.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-[methoxy(phenoxy)phosphoryl]oxybut-2-enoate
Also Known As: 3-2-butenoicacidbenzylester, 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester
| Molecular Formula | C18H19O6P |
|---|---|
| Molecular Weight | 362.09 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 362.09192 |
| Heavy Atoms | 25 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 63992-58-5 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=CC=CC=C1)OP(=O)(OC)OC2=CC=CC=C2 |
| InChIKey | YIFJNSDHCQUDRS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester (CAS 63992-58-5), with molecular formula C18H19O6P and molecular weight 362.09 g/mol. IUPAC: benzyl 3-[methoxy(phenoxy)phosphoryl]oxybut-2-enoate.
Chemical Property Profile of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester
Property Insights of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester
The XLogP value of 3.5 indicates that 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester 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 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester. Following Lipinski's Rule of Five, 3-(Methoxyphenoxyphosphinyloxy)-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-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester?
The CAS number of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester is 63992-58-5.
What is the molecular formula of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester?
The molecular formula of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester is C18H19O6P.
What is the molecular weight of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester?
The molecular weight of 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester is 362.09 g/mol.
Where can I buy 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester?
You can request a quote for 3-(Methoxyphenoxyphosphinyloxy)-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-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(Methoxyphenoxyphosphinyloxy)-2-butenoic acid benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.