(4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate
TL;DR: (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate (CAS 64011-79-6) is a chemical compound with molecular formula C12H14ClO6P and molecular weight 320.02167 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: -3-[oxy]-2-butenoicacid4-chlorophenylester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14ClO6P |
| Molecular Weight | 320.02167 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 320.02167 Da |
| Heavy Atoms | 20 |
| Complexity | 395.0 |
| SMILES | CC(=CC(=O)OC1=CC=C(C=C1)Cl)OP(=O)(OC)OC |
| InChIKey | VSELFEBDZSMWKO-UHFFFAOYSA-N |
Chemical Property Profile of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate
Property Insights of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate
The XLogP value of 3.4 indicates that (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate 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 (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate. Following Lipinski's Rule of Five, (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate 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 (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate?
The CAS number of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate is 64011-79-6.
What is the molecular formula of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular formula of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate is C12H14ClO6P.
What is the molecular weight of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular weight of (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate is 320.02167 g/mol.
Where can I buy (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate?
You can request a quote for (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate?
Yes, CoreyChem provides custom synthesis services for (4-Chlorophenyl) 3-dimethoxyphosphoryloxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.