Isoetharine, (1S,2R)-
TL;DR: Isoetharine, (1S,2R)- (CAS 52520-15-7) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15215 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
Also Known As: isoetharine, Isoetarine, Neoisuprel, Dilabron, Etyprenaline
Technical Specifications
| Molecular Formula | C13H21NO3 |
| Molecular Weight | 239.15215 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 72.7 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 239.15215 Da |
| Heavy Atoms | 17 |
| Complexity | 223.0 |
| SMILES | CC[C@H]([C@H](C1=CC(=C(C=C1)O)O)O)NC(C)C |
| InChIKey | HUYWAWARQUIQLE-MFKMUULPSA-N |
Chemical Property Profile of Isoetharine, (1S,2R)-
Property Insights of Isoetharine, (1S,2R)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoetharine, (1S,2R)-. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoetharine, (1S,2R)-. Following Lipinski's Rule of Five, Isoetharine, (1S,2R)- has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Isoetharine, (1S,2R)-?
The CAS number of Isoetharine, (1S,2R)- is 52520-15-7.
What is the molecular formula of Isoetharine, (1S,2R)-?
The molecular formula of Isoetharine, (1S,2R)- is C13H21NO3.
What is the molecular weight of Isoetharine, (1S,2R)-?
The molecular weight of Isoetharine, (1S,2R)- is 239.15215 g/mol.
Where can I buy Isoetharine, (1S,2R)-?
You can request a quote for Isoetharine, (1S,2R)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoetharine, (1S,2R)-?
Yes, CoreyChem provides custom synthesis services for Isoetharine, (1S,2R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.