Broncholin
TL;DR: Broncholin (CAS 54240-36-7) is a chemical compound with molecular formula C13H19Cl2F3N2O and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyethyl]-tert-butylazanium chloride
Also Known As: Broncholin, mabuterol hydrochloride, Mabuterol HCl, KF 868 (pharmaceutical), Mabuterol hydrochloride [JAN]
| Molecular Formula | C13H19Cl2F3N2O |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | -0.66 |
| Topological Polar Surface Area | 62.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.08264 |
| Heavy Atoms | 21 |
| Complexity | 320.0 |
Chemical Identifiers
| CAS Number | 54240-36-7 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(C1=CC(=C(C(=C1)Cl)N)C(F)(F)F)O.[Cl-] |
| InChIKey | MMCDXJOMPMIKGP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Broncholin (CAS 54240-36-7), with molecular formula C13H19Cl2F3N2O and molecular weight 346.08 g/mol. IUPAC: [2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-hydroxyethyl]-tert-butylazanium chloride.
Chemical Property Profile of Broncholin
Property Insights of Broncholin
The XLogP value of -0.66 indicates that Broncholin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 62.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Broncholin. Following Lipinski's Rule of Five, Broncholin has 3 hydrogen bond donor(s) and 6 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 Broncholin?
The CAS number of Broncholin is 54240-36-7.
What is the molecular formula of Broncholin?
The molecular formula of Broncholin is C13H19Cl2F3N2O.
What is the molecular weight of Broncholin?
The molecular weight of Broncholin is 346.08 g/mol.
Where can I buy Broncholin?
You can request a quote for Broncholin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Broncholin?
Yes, KEHONG BIO provides custom synthesis services for Broncholin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.