4-(Hexadecylamino)benzoic acid
TL;DR: 4-(Hexadecylamino)benzoic acid (CAS 55986-43-1) is a chemical compound with molecular formula C23H39NO2 and molecular weight 361.29807 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(hexadecylamino)benzoic acid
Also Known As: Cetaben, 4-(Hexadecylamino)benzoic acid, Cetabenum, Cetabeno, Cetaben [INN]
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C23H39NO2 |
| Molecular Weight | 361.29807 g/mol |
| XLogP | 9.2 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 361.29807 Da |
| Heavy Atoms | 26 |
| Complexity | 324.0 |
| SMILES | CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)C(=O)O |
| InChIKey | QXWKHSSBFQDQPR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Hexadecylamino)benzoic acid
Property Insights of 4-(Hexadecylamino)benzoic acid
The XLogP value of 9.2 indicates that 4-(Hexadecylamino)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 4-(Hexadecylamino)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Hexadecylamino)benzoic acid has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(Hexadecylamino)benzoic acid?
The CAS number of 4-(Hexadecylamino)benzoic acid is 55986-43-1.
What is the molecular formula of 4-(Hexadecylamino)benzoic acid?
The molecular formula of 4-(Hexadecylamino)benzoic acid is C23H39NO2.
What is the molecular weight of 4-(Hexadecylamino)benzoic acid?
The molecular weight of 4-(Hexadecylamino)benzoic acid is 361.29807 g/mol.
Where can I buy 4-(Hexadecylamino)benzoic acid?
You can request a quote for 4-(Hexadecylamino)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Hexadecylamino)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Hexadecylamino)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.