1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate
TL;DR: 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate (CAS 2486-99-9) is a chemical compound with molecular formula C25H32BrNO3 and molecular weight 473.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: 3-Hydroxy-8-propyl-1-alpha-H,5-alpha-H-tropanium bromide benzilate, 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate, Nortropanium, 3-hydroxy-8-methyl-8-propyl-, bromide, benzilate, 3-{[Hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-propyl-8-azabicyclo[3.2.1]octan-8-ium bromide, 3-{[Hydroxydi(phenyl)acetyl]oxy}-8-methyl-8-propyl-8-azabicyclo[3.2.1]octan-8-ium bromide
| Molecular Formula | C25H32BrNO3 |
|---|---|
| Molecular Weight | 473.16 g/mol |
| LogP | 1.0197 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 473.15656 |
| Heavy Atoms | 30 |
| Complexity | 532.0 |
Chemical Identifiers
| CAS Number | 2486-99-9 |
|---|---|
| SMILES | CCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-] |
| InChIKey | TXLAKDIEDKPHEF-UHFFFAOYSA-M |
Product Overview
1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate (CAS 2486-99-9), with molecular formula C25H32BrNO3 and molecular weight 473.16 g/mol. IUPAC: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide.
Chemical Property Profile of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate
Property Insights of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate
The XLogP value of 1.0197 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate. With a topological polar surface area (TPSA) of 46.5 Ų, 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate 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 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate?
The CAS number of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate is 2486-99-9.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate?
The molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate is C25H32BrNO3.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate?
The molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate is 473.16 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate?
You can request a quote for 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-propyl-, bromide benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.