(2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate
TL;DR: (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate (CAS 32425-90-4) is a chemical compound with molecular formula C13H15Cl2O6P and molecular weight 368.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: 3-((DIMETHOXYPHOSPHINYL)OXY)-2-BUTENOIC ACID (2,4-DICHLOROPHENYL)METHYL ESTER
| Molecular Formula | C13H15Cl2O6P |
|---|---|
| Molecular Weight | 368.00 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 367.99832 |
| Heavy Atoms | 22 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 32425-90-4 |
|---|---|
| SMILES | CC(=CC(=O)OCC1=C(C=C(C=C1)Cl)Cl)OP(=O)(OC)OC |
| InChIKey | DEMKRNKUPDXQOP-UHFFFAOYSA-N |
Product Overview
(2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate (CAS 32425-90-4), with molecular formula C13H15Cl2O6P and molecular weight 368.00 g/mol. IUPAC: (2,4-dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate
Property Insights of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate. Following Lipinski's Rule of Five, (2,4-Dichlorophenyl)methyl 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
Frequently Asked Questions
What is the CAS number of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate?
The CAS number of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is 32425-90-4.
What is the molecular formula of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular formula of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is C13H15Cl2O6P.
What is the molecular weight of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate?
The molecular weight of (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate is 368.00 g/mol.
Where can I buy (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate?
You can request a quote for (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for (2,4-Dichlorophenyl)methyl 3-dimethoxyphosphoryloxybut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.