((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester
TL;DR: ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester (CAS 159949-02-7) is a chemical compound with molecular formula C24H29F3N2O4 and molecular weight 466.20795 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl N-[(2S)-3-methyl-1-oxo-1-[[(2R,3S)-1,1,1-trifluoro-2-hydroxy-5-phenylpentan-3-yl]amino]butan-2-yl]carbamate
Also Known As: ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester, Carbamic acid, (2-methyl-1-(((3,3,3-trifluoro-2-hydroxy-1-(2-phenylethyl)propyl)amino)carbonyl)propyl)-, phenylmethyl ester, (1R-(1R(S),2S, Cbz-L-Val-[(1S,2R)-1-Phenethyl-2-hydroxy-3,3,3-trifluoropropyl]-NH2, Benzyl [(2S)-3-methyl-1-oxo-1-{[(2R,3S)-1,1,1-trifluoro-2-hydroxy-5-phenylpentan-3-yl]amino}butan-2-yl]carbamate, BENZYL N-[(1S)-2-METHYL-1-{[(2R,3S)-1,1,1-TRIFLUORO-2-HYDROXY-5-PHENYLPENTAN-3-YL]CARBAMOYL}PROPYL]CARBAMATE
Technical Specifications
| Molecular Formula | C24H29F3N2O4 |
| Molecular Weight | 466.20795 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 87.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 466.20795 Da |
| Heavy Atoms | 33 |
| Complexity | 603.0 |
| SMILES | CC(C)[C@@H](C(=O)N[C@@H](CCC1=CC=CC=C1)[C@H](C(F)(F)F)O)NC(=O)OCC2=CC=CC=C2 |
| InChIKey | PKJBFPYDNKWNHR-PCCBWWKXSA-N |
Chemical Property Profile of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester
Property Insights of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester
The XLogP value of 5.0 indicates that ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.7 Ų falls within the moderate polarity range, balancing permeability and solubility for ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester. Following Lipinski's Rule of Five, ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester?
The CAS number of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester is 159949-02-7.
What is the molecular formula of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester?
The molecular formula of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester is C24H29F3N2O4.
What is the molecular weight of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester?
The molecular weight of ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester is 466.20795 g/mol.
Where can I buy ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester?
You can request a quote for ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester?
Yes, CoreyChem provides custom synthesis services for ((S)-2-Methyl-1-((1S*,2R*)-3,3,3-trifluoro-2-hydroxy-1-phenethyl-propylcarbamoyl)-propyl)-carbamic acid, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.