3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester
TL;DR: 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester (CAS 64011-87-6) is a chemical compound with molecular formula C14H18NO8P and molecular weight 359.077 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-5-nitrophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 3-2-butenoicacid2-methyl-5-nitrobenzylester, 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester
Technical Specifications
| Molecular Formula | C14H18NO8P |
| Molecular Weight | 359.077 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 117.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 359.077 Da |
| Heavy Atoms | 24 |
| Complexity | 521.0 |
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C=C(C)OP(=O)(OC)OC |
| InChIKey | CPUQGBCWXDZNIZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester
Property Insights of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester. Following Lipinski's Rule of Five, 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-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
What is the CAS number of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester?
The CAS number of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester is 64011-87-6.
What is the molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester?
The molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester is C14H18NO8P.
What is the molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester?
The molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester is 359.077 g/mol.
Where can I buy 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester?
You can request a quote for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-methyl-5-nitrobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.