(2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid
TL;DR: (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid (CAS 1428-53-1) is a chemical compound with molecular formula C9H7F3N2O4 and molecular weight 264.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid
Also Known As: (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid, 2-((2-Nitro-4-(trifluoromethyl)phenyl)amino)acetic acid, ZERO/006285, N-[2-nitro-4-(trifluoromethyl)phenyl]glycine, 2-{[2-nitro-4-(trifluoromethyl)phenyl]amino}acetic acid
| Molecular Formula | C9H7F3N2O4 |
|---|---|
| Molecular Weight | 264.04 g/mol |
| LogP | 2.1101 |
| Topological Polar Surface Area | 92.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 264.0358 |
| Heavy Atoms | 18 |
| Complexity | 487.19135 |
Chemical Identifiers
| CAS Number | 1428-53-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])NCC(=O)O |
Product Overview
(2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid (CAS 1428-53-1), with molecular formula C9H7F3N2O4 and molecular weight 264.04 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)anilino]acetic acid.
Chemical Property Profile of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid
Property Insights of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid
The XLogP value of 2.1101 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid. The TPSA of 92.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid. Following Lipinski's Rule of Five, (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid has 2 hydrogen bond donor(s) and 4 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-Nitro-4-trifluoromethyl-phenylamino)-acetic acid?
The CAS number of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid is 1428-53-1.
What is the molecular formula of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid?
The molecular formula of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid is C9H7F3N2O4.
What is the molecular weight of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid?
The molecular weight of (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid is 264.04 g/mol.
Where can I buy (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid?
You can request a quote for (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitro-4-trifluoromethyl-phenylamino)-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.