Isoetharine Hydrochloride
TL;DR: Isoetharine Hydrochloride (CAS 2576-92-3) 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-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride
Also Known As: Bronkosol, Isoetharine hydrochloride, Asthmalitan, Isoetharine Hcl, Mixture Name
| 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 | 2576-92-3 |
|---|---|
| SMILES | CC[C@H]([C@H](C1=CC(=C(C=C1)O)O)O)NC(C)C.Cl |
| InChIKey | MUFDLGGSOCHQOC-HTKOBJQYSA-N |
Product Overview
Isoetharine Hydrochloride (CAS 2576-92-3), with molecular formula C13H22ClNO3 and molecular weight 275.13 g/mol. IUPAC: 4-[(1S,2R)-1-hydroxy-2-(propan-2-ylamino)butyl]benzene-1,2-diol;hydrochloride.
Chemical Property Profile of Isoetharine Hydrochloride
Property Insights of Isoetharine Hydrochloride
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoetharine Hydrochloride. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoetharine Hydrochloride. Following Lipinski's Rule of Five, Isoetharine 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 Isoetharine Hydrochloride?
The CAS number of Isoetharine Hydrochloride is 2576-92-3.
What is the molecular formula of Isoetharine Hydrochloride?
The molecular formula of Isoetharine Hydrochloride is C13H22ClNO3.
What is the molecular weight of Isoetharine Hydrochloride?
The molecular weight of Isoetharine Hydrochloride is 275.13 g/mol.
Where can I buy Isoetharine Hydrochloride?
You can request a quote for Isoetharine Hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoetharine Hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isoetharine Hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.