Homatropine Methylbromide
TL;DR: Homatropine Methylbromide (CAS 80-49-9) is a chemical compound with molecular formula C17H24BrNO3 and molecular weight 369.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide
Also Known As: homatropine methylbromide, Equipin, Homapin, Methylhomatropine, Arkitropin
| Molecular Formula | C17H24BrNO3 |
|---|---|
| Molecular Weight | 369.09 g/mol |
| LogP | -0.96 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.09396 |
| Heavy Atoms | 22 |
| Complexity | 373.0 |
| Melting Point | 191-192 °C |
Chemical Identifiers
| CAS Number | 80-49-9 |
|---|---|
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)O)C.[Br-] |
| InChIKey | FUFVKLQESJNNAN-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Homatropine Methylbromide (CAS 80-49-9), with molecular formula C17H24BrNO3 and molecular weight 369.09 g/mol. IUPAC: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2-phenylacetate bromide.
Chemical Property Profile of Homatropine Methylbromide
Property Insights of Homatropine Methylbromide
The XLogP value of -0.96 indicates that Homatropine Methylbromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 46.5 Ų, Homatropine Methylbromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Homatropine Methylbromide has 1 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 Homatropine Methylbromide?
The CAS number of Homatropine Methylbromide is 80-49-9.
What is the molecular formula of Homatropine Methylbromide?
The molecular formula of Homatropine Methylbromide is C17H24BrNO3.
What is the molecular weight of Homatropine Methylbromide?
The molecular weight of Homatropine Methylbromide is 369.09 g/mol.
Where can I buy Homatropine Methylbromide?
You can request a quote for Homatropine Methylbromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homatropine Methylbromide?
Yes, KEHONG BIO provides custom synthesis services for Homatropine Methylbromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.