3-(hexylcarbamoyl)prop-2-enoic Acid
TL;DR: 3-(hexylcarbamoyl)prop-2-enoic Acid (CAS 100581-93-9) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12085 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(hexylamino)-4-oxobut-2-enoic acid
Also Known As: 3-(hexylcarbamoyl)prop-2-enoic Acid, 4-(Hexylamino)-4-oxo-2-butenoic acid, 4-(hexylamino)-4-oxobut-2-enoic acid
Technical Specifications
| Molecular Formula | C10H17NO3 |
| Molecular Weight | 199.12085 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 199.12085 Da |
| Heavy Atoms | 14 |
| Complexity | 211.0 |
| SMILES | CCCCCCNC(=O)C=CC(=O)O |
| InChIKey | HXXJDJHHLXEVBZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-(hexylcarbamoyl)prop-2-enoic Acid
Property Insights of 3-(hexylcarbamoyl)prop-2-enoic Acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(hexylcarbamoyl)prop-2-enoic Acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(hexylcarbamoyl)prop-2-enoic Acid. Following Lipinski's Rule of Five, 3-(hexylcarbamoyl)prop-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 3-(hexylcarbamoyl)prop-2-enoic Acid?
The CAS number of 3-(hexylcarbamoyl)prop-2-enoic Acid is 100581-93-9.
What is the molecular formula of 3-(hexylcarbamoyl)prop-2-enoic Acid?
The molecular formula of 3-(hexylcarbamoyl)prop-2-enoic Acid is C10H17NO3.
What is the molecular weight of 3-(hexylcarbamoyl)prop-2-enoic Acid?
The molecular weight of 3-(hexylcarbamoyl)prop-2-enoic Acid is 199.12085 g/mol.
Where can I buy 3-(hexylcarbamoyl)prop-2-enoic Acid?
You can request a quote for 3-(hexylcarbamoyl)prop-2-enoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(hexylcarbamoyl)prop-2-enoic Acid?
Yes, CoreyChem provides custom synthesis services for 3-(hexylcarbamoyl)prop-2-enoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.