3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester
TL;DR: 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester (CAS 64011-78-5) is a chemical compound with molecular formula C13H16ClO6P and molecular weight 334.0373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester
Technical Specifications
| Molecular Formula | C13H16ClO6P |
| Molecular Weight | 334.0373 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 334.0373 Da |
| Heavy Atoms | 21 |
| Complexity | 417.0 |
| SMILES | CC(=CC(=O)OCC1=CC=CC=C1Cl)OP(=O)(OC)OC |
| InChIKey | AEKQPEXBWPJBEH-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester
Property Insights of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester. Following Lipinski's Rule of Five, 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl 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
What is the CAS number of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester?
The CAS number of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester is 64011-78-5.
What is the molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester?
The molecular formula of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester is C13H16ClO6P.
What is the molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester?
The molecular weight of 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester is 334.0373 g/mol.
Where can I buy 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester?
You can request a quote for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl 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-chlorobenzyl ester?
Yes, CoreyChem provides custom synthesis services for 3-(Dimethoxyphosphinyloxy)-2-butenoic acid 2-chlorobenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.