3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester
TL;DR: 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester (CAS 64011-86-5) is a chemical compound with molecular formula C14H18NO8P and molecular weight 359.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitrophenyl)ethyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 1-(3-nitrophenyl)ethyl (Z)-3-dimethoxyphosphoryloxybut-2-eno, 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester
| Molecular Formula | C14H18NO8P |
|---|---|
| Molecular Weight | 359.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.077 |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 64011-86-5 |
|---|---|
| SMILES | CC(C1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C=C(C)OP(=O)(OC)OC |
| InChIKey | NKBJXXXGNDOQSJ-UHFFFAOYSA-N |
Product Overview
3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester (CAS 64011-86-5), with molecular formula C14H18NO8P and molecular weight 359.08 g/mol. IUPAC: 1-(3-nitrophenyl)ethyl 3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester
Property Insights of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester
The XLogP value of 3.1 indicates that 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester. Following Lipinski's Rule of Five, 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester has 0 hydrogen bond donor(s) and 8 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-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester?
The CAS number of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester is 64011-86-5.
What is the molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester?
The molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester is C14H18NO8P.
What is the molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester?
The molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester is 359.08 g/mol.
Where can I buy 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester?
You can request a quote for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid alpha-methyl-m-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.