(2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate
TL;DR: (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate (CAS 14399-14-5) is a chemical compound with molecular formula C20H18Cl2N2O6 and molecular weight 452.0542 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3R)-2-[(2,2-dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl] 3-phenylprop-2-enoate
Also Known As: (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester, 3-Phenyl-2-propenoic acid (2R,3R)-2-[(dichloroacetyl)amino]-3-hydroxy-3-(4-nitrophenyl)propyl ester
Technical Specifications
| Molecular Formula | C20H18Cl2N2O6 |
| Molecular Weight | 452.0542 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 452.0542 Da |
| Heavy Atoms | 30 |
| Complexity | 611.0 |
| SMILES | C1=CC=C(C=C1)C=CC(=O)OC[C@H]([C@@H](C2=CC=C(C=C2)[N+](=O)[O-])O)NC(=O)C(Cl)Cl |
| InChIKey | CWCFRXTWYCIYJL-SJLPKXTDSA-N |
Chemical Property Profile of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate
Property Insights of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate
The XLogP value of 3.8 indicates that (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate. Following Lipinski's Rule of Five, (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate has 2 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 (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate?
The CAS number of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate is 14399-14-5.
What is the molecular formula of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate?
The molecular formula of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate is C20H18Cl2N2O6.
What is the molecular weight of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate?
The molecular weight of (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate is 452.0542 g/mol.
Where can I buy (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate?
You can request a quote for (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate?
Yes, CoreyChem provides custom synthesis services for (2R,3R)-2-(2,2-dichloroacetamido)-3-hydroxy-3-(4-nitrophenyl)propyl 3-phenylprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.