异他林盐酸盐
TL;DR: 异他林盐酸盐 (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.
异他林盐酸盐
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
异他林盐酸盐 (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 异他林盐酸盐
Property Insights of 异他林盐酸盐
The XLogP value of 2.33 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异他林盐酸盐. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 异他林盐酸盐. Following Lipinski's Rule of Five, 异他林盐酸盐 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 异他林盐酸盐?
The CAS number of 异他林盐酸盐 is 50-96-4.
What is the molecular formula of 异他林盐酸盐?
The molecular formula of 异他林盐酸盐 is C13H22ClNO3.
What is the molecular weight of 异他林盐酸盐?
The molecular weight of 异他林盐酸盐 is 275.13 g/mol.
Where can I buy 异他林盐酸盐?
You can request a quote for 异他林盐酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异他林盐酸盐?
Yes, KEHONG BIO provides custom synthesis services for 异他林盐酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.