(S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate
TL;DR: (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate (CAS 5106-00-3) is a chemical compound with molecular formula C12H11F3N2O6 and molecular weight 336.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-(4-hydroxy-3-nitrophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate
Also Known As: -METHYL3- -2- PROPIONATE, (S)-METHYL 3-(4-HYDROXY-3-NITROPHENYL)-2-(2,2,2-TRIFLUOROACETYLAMINO)PROPIONATE, 5-(N,N-Dimethylsulfamoyl)-2-fluorobenzoic acid, Methyl 3-nitro-N-(trifluoroacetyl)-L-tyrosinate, N-(trifluoroacetyl)-3-nitro-L-tyrosine methyl ester
| Molecular Formula | C12H11F3N2O6 |
|---|---|
| Molecular Weight | 336.06 g/mol |
| LogP | 1.063 |
| Topological Polar Surface Area | 118.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 336.05692 |
| Heavy Atoms | 23 |
| Complexity | 631.7123 |
Chemical Identifiers
| CAS Number | 5106-00-3 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC(=C(C=C1)O)[N+](=O)[O-])NC(=O)C(F)(F)F |
Product Overview
(S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate (CAS 5106-00-3), with molecular formula C12H11F3N2O6 and molecular weight 336.06 g/mol. IUPAC: methyl (2S)-3-(4-hydroxy-3-nitrophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoate.
Chemical Property Profile of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate
Property Insights of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate
The XLogP value of 1.063 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate. The TPSA of 118.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate. Following Lipinski's Rule of Five, (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate 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
Frequently Asked Questions
What is the CAS number of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate?
The CAS number of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate is 5106-00-3.
What is the molecular formula of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate?
The molecular formula of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate is C12H11F3N2O6.
What is the molecular weight of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate?
The molecular weight of (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate is 336.06 g/mol.
Where can I buy (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate?
You can request a quote for (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate?
Yes, KEHONG BIO provides custom synthesis services for (S)-Methyl 3-(4-hydroxy-3-nitrophenyl)-2-(2,2,2-trifluoroacetylamino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.