2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
TL;DR: 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid (CAS 167887-95-8) is a chemical compound with molecular formula C8H4F3NO4 and molecular weight 235.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4,5-trifluoro-3-methyl-6-nitrobenzoic acid
Also Known As: 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid, CUPRICMETHIONLINE, 8566AA, 2,4,5-trifluoro-3-methyl-6-nitro-benzoic Acid, 3-METHYL-6-NITRO-2,4,5-TRIFLUOROBENZOIC ACID
| Molecular Formula | C8H4F3NO4 |
|---|---|
| Molecular Weight | 235.01 g/mol |
| LogP | 2.01872 |
| Topological Polar Surface Area | 80.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.00925 |
| Heavy Atoms | 16 |
| Complexity | 455.79218 |
Chemical Identifiers
| CAS Number | 167887-95-8 |
|---|---|
| SMILES | CC1=C(C(=C(C(=C1F)F)[N+](=O)[O-])C(=O)O)F |
Product Overview
2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid (CAS 167887-95-8), with molecular formula C8H4F3NO4 and molecular weight 235.01 g/mol. IUPAC: 2,4,5-trifluoro-3-methyl-6-nitrobenzoic acid.
Chemical Property Profile of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
Property Insights of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid
The XLogP value of 2.01872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid. The TPSA of 80.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid. Following Lipinski's Rule of Five, 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid has 1 hydrogen bond donor(s) and 3 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 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid?
The CAS number of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid is 167887-95-8.
What is the molecular formula of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid?
The molecular formula of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid is C8H4F3NO4.
What is the molecular weight of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid?
The molecular weight of 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid is 235.01 g/mol.
Where can I buy 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid?
You can request a quote for 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trifluoro-3-methyl-6-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.