Isoetarine hydrochloride
TL;DR: Isoetarine hydrochloride (CAS 50-96-4) is a chemical compound with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride
Also Known As: Isoetharine hydrochloride, Isoetharine Hcl, Asthmalitan, Bronkosol, Isoetarine hydrochloride
| Molecular Formula | C13H22ClNO3 |
|---|---|
| Molecular Weight | 275.13 g/mol |
| LogP | 2.33 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.1288 |
| Heavy Atoms | 18 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 50-96-4 |
|---|---|
| SMILES | CCC(C(C1=CC(=C(C=C1)O)O)O)NC(C)C.Cl |
| InChIKey | MUFDLGGSOCHQOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoetarine hydrochloride (CAS 50-96-4), with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol. IUPAC: 4-[1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of Isoetarine hydrochloride
Property Insights of Isoetarine hydrochloride
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoetarine hydrochloride. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoetarine hydrochloride. Following Lipinski's Rule of Five, Isoetarine hydrochloride has 5 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoetarine hydrochloride?
The CAS number of Isoetarine hydrochloride is 50-96-4.
What is the molecular formula of Isoetarine hydrochloride?
The molecular formula of Isoetarine hydrochloride is C13H22ClNO3.
What is the molecular weight of Isoetarine hydrochloride?
The molecular weight of Isoetarine hydrochloride is 275.13 g/mol.
Where can I buy Isoetarine hydrochloride?
You can request a quote for Isoetarine hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoetarine hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoetarine hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.