Brethine
TL;DR: Brethine (CAS 23031-32-5) is a chemical compound with molecular formula C24H40N2O10S and molecular weight 548.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(tert-butyl-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]azanium);sulfate
Also Known As: Brethaire, Brethine, Bricanyl, Terbutaline sulfate, Terbutaline sulphate
| Molecular Formula | C24H40N2O10S |
|---|---|
| Molecular Weight | 548.24 g/mol |
| LogP | -0.35 |
| Topological Polar Surface Area | 243.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 548.24036 |
| Heavy Atoms | 37 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 23031-32-5 |
|---|---|
| SMILES | CC(C)(C)[NH2+]CC(C1=CC(=CC(=C1)O)O)O.CC(C)(C)[NH2+]CC(C1=CC(=CC(=C1)O)O)O.[O-]S(=O)(=O)[O-] |
| InChIKey | KFVSLSTULZVNPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brethine (CAS 23031-32-5), with molecular formula C24H40N2O10S and molecular weight 548.24 g/mol. IUPAC: bis(tert-butyl-[2-(3,5-dihydroxyphenyl)-2-hydroxyethyl]azanium);sulfate.
Chemical Property Profile of Brethine
Property Insights of Brethine
The XLogP value of -0.35 indicates that Brethine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 243.0 Ų indicates high polarity, suggesting Brethine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brethine has 8 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brethine?
The CAS number of Brethine is 23031-32-5.
What is the molecular formula of Brethine?
The molecular formula of Brethine is C24H40N2O10S.
What is the molecular weight of Brethine?
The molecular weight of Brethine is 548.24 g/mol.
Where can I buy Brethine?
You can request a quote for Brethine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brethine?
Yes, KEHONG BIO provides custom synthesis services for Brethine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.