Phenylalanine, N-trifluoroacetyl-4-nitro-
TL;DR: Phenylalanine, N-trifluoroacetyl-4-nitro- (CAS 152187-33-2) is a chemical compound with molecular formula C11H9F3N2O5 and molecular weight 306.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-nitrophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Also Known As: Phenylalanine, N-TFA-4-nitro-, Phenylalanine, N-trifluoroacetyl-4-nitro-, 4-Nitro-N-(trifluoroacetyl)phenylalanine #, 3-(4-nitrophenyl)-2-(2,2,2-trifluoroacetamido)propanoic acid, 3-(4-nitrophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
| Molecular Formula | C11H9F3N2O5 |
|---|---|
| Molecular Weight | 306.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.04636 |
| Heavy Atoms | 21 |
| Complexity | 413.0 |
Chemical Identifiers
| CAS Number | 152187-33-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC(C(=O)O)NC(=O)C(F)(F)F)[N+](=O)[O-] |
| InChIKey | QHRNEDXPRFMWSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenylalanine, N-trifluoroacetyl-4-nitro- (CAS 152187-33-2), with molecular formula C11H9F3N2O5 and molecular weight 306.05 g/mol. IUPAC: 3-(4-nitrophenyl)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid.
Chemical Property Profile of Phenylalanine, N-trifluoroacetyl-4-nitro-
Property Insights of Phenylalanine, N-trifluoroacetyl-4-nitro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phenylalanine, N-trifluoroacetyl-4-nitro-. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phenylalanine, N-trifluoroacetyl-4-nitro-. Following Lipinski's Rule of Five, Phenylalanine, N-trifluoroacetyl-4-nitro- has 2 hydrogen bond donor(s) and 8 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 Phenylalanine, N-trifluoroacetyl-4-nitro-?
The CAS number of Phenylalanine, N-trifluoroacetyl-4-nitro- is 152187-33-2.
What is the molecular formula of Phenylalanine, N-trifluoroacetyl-4-nitro-?
The molecular formula of Phenylalanine, N-trifluoroacetyl-4-nitro- is C11H9F3N2O5.
What is the molecular weight of Phenylalanine, N-trifluoroacetyl-4-nitro-?
The molecular weight of Phenylalanine, N-trifluoroacetyl-4-nitro- is 306.05 g/mol.
Where can I buy Phenylalanine, N-trifluoroacetyl-4-nitro-?
You can request a quote for Phenylalanine, N-trifluoroacetyl-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylalanine, N-trifluoroacetyl-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Phenylalanine, N-trifluoroacetyl-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.