2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
TL;DR: 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) (CAS 326-12-5) is a chemical compound with molecular formula C14H19O6P and molecular weight 314.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl 3-dimethoxyphosphoryloxybut-2-enoate
Also Known As: Crotoxyphos, ENT 24717, 1-phenylethyl 3-dimethoxyphosphoryloxybut-2-enoate, 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI), 1-PHENYLETHYL 3-[(DIMETHOXYPHOSPHORYL)OXY]BUT-2-ENOATE
| Molecular Formula | C14H19O6P |
|---|---|
| Molecular Weight | 314.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.09192 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 326-12-5 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)C=C(C)OP(=O)(OC)OC |
| InChIKey | XXXSILNSXNPGKG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) (CAS 326-12-5), with molecular formula C14H19O6P and molecular weight 314.09 g/mol. IUPAC: 1-phenylethyl 3-dimethoxyphosphoryloxybut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
Property Insights of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)
The XLogP value of 3.3 indicates that 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) 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 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI). Following Lipinski's Rule of Five, 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) 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-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)?
The CAS number of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) is 326-12-5.
What is the molecular formula of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)?
The molecular formula of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) is C14H19O6P.
What is the molecular weight of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)?
The molecular weight of 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) is 314.09 g/mol.
Where can I buy 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)?
You can request a quote for 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-((dimethoxyphosphinyl)oxy)-, 1-phenylethyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.