![2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid structure](/static/products/824/82422-33-1.png)
2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid
TL;DR: 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid (CAS 82422-33-1) is a chemical compound with molecular formula C11H6F7NO3 and molecular weight 333.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzoic acid
Also Known As: 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]benzoic acid, 2-(heptafluorobutanamido)benzoic acid, 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzoic Acid, Benzoic acid, 2-(heptafluorobutyrylamino)-, 2-(2,2,3,3,4,4,4-HEPTAFLUOROBUTANAMIDO)BENZOIC ACID
| Molecular Formula | C11H6F7NO3 |
|---|---|
| Molecular Weight | 333.02 g/mol |
| LogP | 3.1562 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 333.0236 |
| Heavy Atoms | 22 |
| Complexity | 597.5936 |
Chemical Identifiers
| CAS Number | 82422-33-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)NC(=O)C(C(C(F)(F)F)(F)F)(F)F |
Product Overview
2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid (CAS 82422-33-1), with molecular formula C11H6F7NO3 and molecular weight 333.02 g/mol. IUPAC: 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)benzoic acid.
Chemical Property Profile of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid
Property Insights of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid
The XLogP value of 3.1562 indicates that 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid. Following Lipinski's Rule of Five, 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid has 2 hydrogen bond donor(s) and 2 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-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid?
The CAS number of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid is 82422-33-1.
What is the molecular formula of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid?
The molecular formula of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid is C11H6F7NO3.
What is the molecular weight of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid?
The molecular weight of 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid is 333.02 g/mol.
Where can I buy 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid?
You can request a quote for 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)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 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,2,3,3,4,4,4-Heptafluorobutanoyl)amino]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.