Isopropyl b-aminocrotonate
TL;DR: Isopropyl b-aminocrotonate (CAS 143093-33-8) is a chemical compound with molecular formula C7H13NO2 and molecular weight 143.09464 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
propan-2-yl (E)-3-aminobut-2-enoate
Also Known As: Isopropyl 3-aminocrotonate, isopropyl b-aminocrotonate, Isopropyl 3-Amino-2-butenoate, Isopropyl 3-aminobut-2-enoate, Propan-2-yl 3-aminobut-2-enoate
Technical Specifications
| Molecular Formula | C7H13NO2 |
| Molecular Weight | 143.09464 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.09464 Da |
| Heavy Atoms | 10 |
| Complexity | 150.0 |
| SMILES | CC(C)OC(=O)/C=C(\C)/N |
| InChIKey | YCKAGGHNUHZKCL-GQCTYLIASA-N |
Chemical Property Profile of Isopropyl b-aminocrotonate
Property Insights of Isopropyl b-aminocrotonate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl b-aminocrotonate. With a topological polar surface area (TPSA) of 52.3 Ų, Isopropyl b-aminocrotonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl b-aminocrotonate has 1 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 Isopropyl b-aminocrotonate?
The CAS number of Isopropyl b-aminocrotonate is 143093-33-8.
What is the molecular formula of Isopropyl b-aminocrotonate?
The molecular formula of Isopropyl b-aminocrotonate is C7H13NO2.
What is the molecular weight of Isopropyl b-aminocrotonate?
The molecular weight of Isopropyl b-aminocrotonate is 143.09464 g/mol.
Where can I buy Isopropyl b-aminocrotonate?
You can request a quote for Isopropyl b-aminocrotonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isopropyl b-aminocrotonate?
Yes, CoreyChem provides custom synthesis services for Isopropyl b-aminocrotonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.