Alginor
TL;DR: Alginor (CAS 51598-60-8) is a chemical compound with molecular formula C21H28BrNO4 and molecular weight 437.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4R,5R)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate bromide
Also Known As: Alginor, Cimetropium Bromide, Alginor (TN), [(1R,2R,4S,5S)-9-(Cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate;bromide
| Molecular Formula | C21H28BrNO4 |
|---|---|
| Molecular Weight | 437.12 g/mol |
| LogP | -1.1531 |
| Topological Polar Surface Area | 59.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 437.12018 |
| Heavy Atoms | 27 |
| Complexity | 676.6818 |
Chemical Identifiers
| CAS Number | 51598-60-8 |
|---|---|
| SMILES | C[N+]1([C@@H]2CC(C[C@H]1[C@H]3[C@@H]2O3)OC(=O)[C@@H](CO)C4=CC=CC=C4)CC5CC5.[Br-] |
Product Overview
Alginor (CAS 51598-60-8), with molecular formula C21H28BrNO4 and molecular weight 437.12 g/mol. IUPAC: [(1S,2S,4R,5R)-9-(cyclopropylmethyl)-9-methyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl] (2R)-3-hydroxy-2-phenylpropanoate bromide.
Chemical Property Profile of Alginor
Property Insights of Alginor
The XLogP value of -1.1531 indicates that Alginor is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 59.06 Ų, Alginor exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Alginor 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 Alginor?
The CAS number of Alginor is 51598-60-8.
What is the molecular formula of Alginor?
The molecular formula of Alginor is C21H28BrNO4.
What is the molecular weight of Alginor?
The molecular weight of Alginor is 437.12 g/mol.
Where can I buy Alginor?
You can request a quote for Alginor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Alginor?
Yes, KEHONG BIO provides custom synthesis services for Alginor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.