![4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid structure](/static/images/no-structure.svg)
4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid
TL;DR: 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid (CAS 254762-74-8) is a chemical compound with molecular formula C15H20N2O4 and molecular weight 292.1423 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-acetamido-3-(2-ethylbutanoylamino)benzoic acid
Also Known As: Benzoic Acid Inhibitor 6, 1b9s, 4-acetamido-3-(2-ethylbutanamido)benzoic acid, 4-(n-acetylamino)-3-[n-(2-ethylbutanoylamino)]benzoic acid, 4-acetamido-3-(2-ethylbutanoylamino)benzoic acid
Technical Specifications
| Molecular Formula | C15H20N2O4 |
| Molecular Weight | 292.1423 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 95.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.1423 Da |
| Heavy Atoms | 21 |
| Complexity | 393.0 |
| SMILES | CCC(CC)C(=O)NC1=C(C=CC(=C1)C(=O)O)NC(=O)C |
| InChIKey | USKXJFHTBQWXCS-UHFFFAOYSA-N |
Chemical Property Profile of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid
Property Insights of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid. The TPSA of 95.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid. Following Lipinski's Rule of Five, 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid?
The CAS number of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid is 254762-74-8.
What is the molecular formula of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid?
The molecular formula of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid is C15H20N2O4.
What is the molecular weight of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid?
The molecular weight of 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid is 292.1423 g/mol.
Where can I buy 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid?
You can request a quote for 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(N-Acetylamino)-3-[N-(2-ethylbutanoylamino)]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.