(2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine
TL;DR: (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine (CAS 54495-45-3) is a chemical compound with molecular formula C9H6F3N3O6 and molecular weight 309.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetic acid
Also Known As: (2,6-dinitro-4-(trifluoromethyl)phenyl)glycine, 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetic acid, 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]amino}acetic acid, N-(2,6-Dinitro-4-trifluormethylphenyl)glycin, F1905-0014
| Molecular Formula | C9H6F3N3O6 |
|---|---|
| Molecular Weight | 309.02 g/mol |
| LogP | 2.0183 |
| Topological Polar Surface Area | 135.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.02087 |
| Heavy Atoms | 21 |
| Complexity | 580.231 |
Chemical Identifiers
| CAS Number | 54495-45-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])NCC(=O)O)[N+](=O)[O-])C(F)(F)F |
Product Overview
(2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine (CAS 54495-45-3), with molecular formula C9H6F3N3O6 and molecular weight 309.02 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)anilino]acetic acid.
Chemical Property Profile of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine
Property Insights of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine
The XLogP value of 2.0183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine. The TPSA of 135.61 Ų falls within the moderate polarity range, balancing permeability and solubility for (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine. Following Lipinski's Rule of Five, (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine 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 (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine?
The CAS number of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine is 54495-45-3.
What is the molecular formula of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine?
The molecular formula of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine is C9H6F3N3O6.
What is the molecular weight of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine?
The molecular weight of (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine is 309.02 g/mol.
Where can I buy (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine?
You can request a quote for (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine?
Yes, KEHONG BIO provides custom synthesis services for (2,6-Dinitro-4-(trifluoromethyl)phenyl)glycine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.