Brontisol
TL;DR: Brontisol (CAS 2169-75-7) is a chemical compound with molecular formula C29H35NO8 and molecular weight 525.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxypropane-1,2,3-tricarboxylic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane
Also Known As: Brontisol, Deptropine citrate, Brontina, Brontine, Brontin
| Molecular Formula | C29H35NO8 |
|---|---|
| Molecular Weight | 525.24 g/mol |
| LogP | 3.27 |
| Topological Polar Surface Area | 145.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 525.23627 |
| Heavy Atoms | 38 |
| Complexity | 654.0 |
Chemical Identifiers
| CAS Number | 2169-75-7 |
|---|---|
| SMILES | CN1C2CCC1CC(C2)OC3C4=CC=CC=C4CCC5=CC=CC=C35.C(C(=O)O)C(CC(=O)O)(C(=O)O)O |
| InChIKey | CHQGYMXXKZPWOI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Brontisol (CAS 2169-75-7), with molecular formula C29H35NO8 and molecular weight 525.24 g/mol. IUPAC: 2-hydroxypropane-1,2,3-tricarboxylic acid;8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)-8-azabicyclo[3.2.1]octane.
Chemical Property Profile of Brontisol
Property Insights of Brontisol
The XLogP value of 3.27 indicates that Brontisol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 145.0 Ų indicates high polarity, suggesting Brontisol may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Brontisol has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brontisol?
The CAS number of Brontisol is 2169-75-7.
What is the molecular formula of Brontisol?
The molecular formula of Brontisol is C29H35NO8.
What is the molecular weight of Brontisol?
The molecular weight of Brontisol is 525.24 g/mol.
Where can I buy Brontisol?
You can request a quote for Brontisol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brontisol?
Yes, KEHONG BIO provides custom synthesis services for Brontisol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.