O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate
TL;DR: O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate (CAS 133658-50-1) is a chemical compound with molecular formula C25H22N2O5 and molecular weight 430.15286 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(E)-3-(4-aminophenyl)-2-benzamidoprop-2-enoyl]oxy-3-phenylpropanoic acid
Also Known As: BACPL, O-(alpha-(Benzoylamino)cinnamoyl)-beta phenyllactate, (2S)-2-[(E)-3-(4-aminophenyl)-2-benzamidoprop-2-enoyl]oxy-3-phenylpropanoic acid, Benzenepropanoic acid, alpha-((3-(4-aminophenyl)-2-(benzoylamino)-1-oxo-2-propenyl)oxy)-, (S-(E))-
Technical Specifications
| Molecular Formula | C25H22N2O5 |
| Molecular Weight | 430.15286 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 119.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 430.15286 Da |
| Heavy Atoms | 32 |
| Complexity | 672.0 |
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)OC(=O)/C(=C\C2=CC=C(C=C2)N)/NC(=O)C3=CC=CC=C3 |
| InChIKey | ZIDRLGDJUQGOOT-VAZXNAHHSA-N |
Chemical Property Profile of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate
Property Insights of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate
The XLogP value of 4.1 indicates that O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 119.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate. Following Lipinski's Rule of Five, O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate has 3 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 O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate?
The CAS number of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate is 133658-50-1.
What is the molecular formula of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate?
The molecular formula of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate is C25H22N2O5.
What is the molecular weight of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate?
The molecular weight of O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate is 430.15286 g/mol.
Where can I buy O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate?
You can request a quote for O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate?
Yes, CoreyChem provides custom synthesis services for O-(alpha-(benzoylamino)cinnamoyl)-beta phenyllactate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.