![4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid structure](/static/products/5688/5688-96-0.webp)
4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid
TL;DR: 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid (CAS 5688-96-0) is a chemical compound with molecular formula C13H11F7N2O4 and molecular weight 392.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4,4,5,5,6,6,6-heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid
Also Known As: cis-11-retinal, 4-[(4,4,5,5,6,6,6-heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid, 4-[(4,4,5,5,6,6,6-heptafluoro-2-nitrohexan-3-yl)amino]benzoi, Benzoic acid,4-[[2,2,3,3,4,4,4-heptafluoro-1-(1-nitroethyl)butyl]amino]-
| Molecular Formula | C13H11F7N2O4 |
|---|---|
| Molecular Weight | 392.06 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 95.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 392.0607 |
| Heavy Atoms | 26 |
| Complexity | 528.0 |
Chemical Identifiers
| CAS Number | 5688-96-0 |
|---|---|
| SMILES | CC(C(C(C(C(F)(F)F)(F)F)(F)F)NC1=CC=C(C=C1)C(=O)O)[N+](=O)[O-] |
| InChIKey | TWWSDKQJXNOUNK-UHFFFAOYSA-N |
Product Overview
4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid (CAS 5688-96-0), with molecular formula C13H11F7N2O4 and molecular weight 392.06 g/mol. IUPAC: 4-[(4,4,5,5,6,6,6-heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid.
Chemical Property Profile of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid
Property Insights of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid
The XLogP value of 4.7 indicates that 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid. Following Lipinski's Rule of Five, 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid?
The CAS number of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid is 5688-96-0.
What is the molecular formula of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid?
The molecular formula of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid is C13H11F7N2O4.
What is the molecular weight of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid?
The molecular weight of 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid is 392.06 g/mol.
Where can I buy 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid?
You can request a quote for 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(4,4,5,5,6,6,6-Heptafluoro-2-nitrohexan-3-yl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.