4-(Hexadecylamino)-4-oxoisocrotonic acid
TL;DR: 4-(Hexadecylamino)-4-oxoisocrotonic acid (CAS 15806-42-5) is a chemical compound with molecular formula C20H37NO3 and molecular weight 339.27734 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(hexadecylamino)-4-oxobut-2-enoic acid
Also Known As: 4-(Hexadecylamino)-4-oxoisocrotonic acid, 4-(hexadecylamino)-4-oxo-2-butenoic acid, 4-(hexadecylamino)-4-oxobut-2-enoic acid, 4-(Hexadecylimino)-4-hydroxybut-2-enoic acid, (E)-4-(Hexadecylamino)-4-oxo-2-butenoic acid
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C20H37NO3 |
| Molecular Weight | 339.27734 g/mol |
| XLogP | 7.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 17 |
| Exact Mass | 339.27734 Da |
| Heavy Atoms | 24 |
| Complexity | 340.0 |
| SMILES | CCCCCCCCCCCCCCCCNC(=O)C=CC(=O)O |
| InChIKey | BBTWPENPOIZEIL-UHFFFAOYSA-N |
Chemical Property Profile of 4-(Hexadecylamino)-4-oxoisocrotonic acid
Property Insights of 4-(Hexadecylamino)-4-oxoisocrotonic acid
The XLogP value of 7.1 indicates that 4-(Hexadecylamino)-4-oxoisocrotonic 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-(Hexadecylamino)-4-oxoisocrotonic acid. Following Lipinski's Rule of Five, 4-(Hexadecylamino)-4-oxoisocrotonic 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)-4-oxoisocrotonic acid?
The CAS number of 4-(Hexadecylamino)-4-oxoisocrotonic acid is 15806-42-5.
What is the molecular formula of 4-(Hexadecylamino)-4-oxoisocrotonic acid?
The molecular formula of 4-(Hexadecylamino)-4-oxoisocrotonic acid is C20H37NO3.
What is the molecular weight of 4-(Hexadecylamino)-4-oxoisocrotonic acid?
The molecular weight of 4-(Hexadecylamino)-4-oxoisocrotonic acid is 339.27734 g/mol.
Where can I buy 4-(Hexadecylamino)-4-oxoisocrotonic acid?
You can request a quote for 4-(Hexadecylamino)-4-oxoisocrotonic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(Hexadecylamino)-4-oxoisocrotonic acid?
Yes, CoreyChem provides custom synthesis services for 4-(Hexadecylamino)-4-oxoisocrotonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.