Isoetharine
TL;DR: Isoetharine (CAS 530-08-5) 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-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol
Also Known As: isoetharine, Isoetarine, Dilabron, Etyprenaline, Isoetarin
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
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 |
| Solubility | Appreciable |
| SMILES | CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C |
| InChIKey | HUYWAWARQUIQLE-UHFFFAOYSA-N |
Product Description
Applications: Isoetharine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Isoetharine is a pharmaceutical intermediate identified by CAS number 530-08-5 and the molecular formula C13H21NO3 and a molecular weight of 239.15 g/mol. Physically, the compound has a solubility: Appreciable. Synonyms include isoetharine and Isoetarine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Isoetharine
Property Insights of Isoetharine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoetharine. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoetharine. Following Lipinski's Rule of Five, Isoetharine 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?
The CAS number of Isoetharine is 530-08-5.
What is the molecular formula of Isoetharine?
The molecular formula of Isoetharine is C13H21NO3.
What is the molecular weight of Isoetharine?
The molecular weight of Isoetharine is 239.15215 g/mol.
What are the applications of Isoetharine?
Isoetharine is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Isoetharine?
You can request a quote for Isoetharine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoetharine?
Yes, CoreyChem provides custom synthesis services for Isoetharine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.