4-(Octanoylamino)benzoic acid
TL;DR: 4-(Octanoylamino)benzoic acid (CAS 154978-54-8) is a chemical compound with molecular formula C15H21NO3 and molecular weight 263.15213 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(octanoylamino)benzoic acid
Also Known As: 4-(octanoylamino)benzoic acid, 4-Octanoylamino-benzoic acid, 4-OCTANAMIDOBENZOIC ACID, 4-[(1-Oxooctyl)amino]benzoic acid, BAS 06481247
Technical Specifications
| Molecular Formula | C15H21NO3 |
| Molecular Weight | 263.15213 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 263.15213 Da |
| Heavy Atoms | 19 |
| Complexity | 283.0 |
| SMILES | CCCCCCCC(=O)NC1=CC=C(C=C1)C(=O)O |
| InChIKey | HCHZQSBSCGUKAA-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Octanoylamino)benzoic acid
Property Insights of 4-(Octanoylamino)benzoic acid
The XLogP value of 3.6 indicates that 4-(Octanoylamino)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 4-(Octanoylamino)benzoic acid. Following Lipinski's Rule of Five, 4-(Octanoylamino)benzoic acid has 2 hydrogen bond donor(s) and 3 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-(Octanoylamino)benzoic acid?
The CAS number of 4-(Octanoylamino)benzoic acid is 154978-54-8.
What is the molecular formula of 4-(Octanoylamino)benzoic acid?
The molecular formula of 4-(Octanoylamino)benzoic acid is C15H21NO3.
What is the molecular weight of 4-(Octanoylamino)benzoic acid?
The molecular weight of 4-(Octanoylamino)benzoic acid is 263.15213 g/mol.
Where can I buy 4-(Octanoylamino)benzoic acid?
You can request a quote for 4-(Octanoylamino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Octanoylamino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Octanoylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.