4-(4-Butylanilino)-4-oxobut-2-enoic acid
TL;DR: 4-(4-Butylanilino)-4-oxobut-2-enoic acid (CAS 100582-05-6) is a chemical compound with molecular formula C14H17NO3 and molecular weight 247.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-butylanilino)-4-oxobut-2-enoic acid
Also Known As: 4-(4-butylanilino)-4-oxobut-2-enoic acid, 4-[(4-butylphenyl)amino]-4-oxobut-2-enoic acid
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H17NO3 |
| Molecular Weight | 247.12085 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 247.12085 Da |
| Heavy Atoms | 18 |
| Complexity | 304.0 |
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)C=CC(=O)O |
| InChIKey | RHNAPQKAHBDNLV-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Butylanilino)-4-oxobut-2-enoic acid
Property Insights of 4-(4-Butylanilino)-4-oxobut-2-enoic acid
The XLogP value of 3.1 indicates that 4-(4-Butylanilino)-4-oxobut-2-enoic 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-(4-Butylanilino)-4-oxobut-2-enoic acid. Following Lipinski's Rule of Five, 4-(4-Butylanilino)-4-oxobut-2-enoic 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-(4-Butylanilino)-4-oxobut-2-enoic acid?
The CAS number of 4-(4-Butylanilino)-4-oxobut-2-enoic acid is 100582-05-6.
What is the molecular formula of 4-(4-Butylanilino)-4-oxobut-2-enoic acid?
The molecular formula of 4-(4-Butylanilino)-4-oxobut-2-enoic acid is C14H17NO3.
What is the molecular weight of 4-(4-Butylanilino)-4-oxobut-2-enoic acid?
The molecular weight of 4-(4-Butylanilino)-4-oxobut-2-enoic acid is 247.12085 g/mol.
Where can I buy 4-(4-Butylanilino)-4-oxobut-2-enoic acid?
You can request a quote for 4-(4-Butylanilino)-4-oxobut-2-enoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Butylanilino)-4-oxobut-2-enoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Butylanilino)-4-oxobut-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.