![3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester structure](/static/products/6401/64011-88-7.webp)
3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester
TL;DR: 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester (CAS 64011-88-7) is a chemical compound with molecular formula C13H17O6P and molecular weight 300.07626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methylphenyl) 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H17O6P |
| Molecular Weight | 300.07626 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.07626 Da |
| Heavy Atoms | 20 |
| Complexity | 390.0 |
| SMILES | CC1=CC=C(C=C1)OC(=O)C=C(C)OP(=O)(OC)OC |
| InChIKey | BMIYVSFIYHCVEE-UHFFFAOYSA-N |
Chemical Property Profile of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester
Property Insights of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester
The XLogP value of 3.1 indicates that 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl 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-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester. Following Lipinski's Rule of Five, 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl 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-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester?
The CAS number of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester is 64011-88-7.
What is the molecular formula of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester?
The molecular formula of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester is C13H17O6P.
What is the molecular weight of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester?
The molecular weight of 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester is 300.07626 g/mol.
Where can I buy 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester?
You can request a quote for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester?
Yes, CoreyChem provides custom synthesis services for 3-[(Dimethoxyphosphinyl)oxy]-2-butenoic acid 4-methylphenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.