1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate
TL;DR: 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate (CAS 74051-30-2) is a chemical compound with molecular formula C28H38BrNO3 and molecular weight 515.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: 8-Hexyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide benzilate, 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate, (8-hexyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide, 8-Azoniabicyclo[3.2.1]octane, 8-hexyl-3-[(hydroxydiphenylacetyl)oxy]-8-methyl-, bromide, 8-Hexyl-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
| Molecular Formula | C28H38BrNO3 |
|---|---|
| Molecular Weight | 515.20 g/mol |
| LogP | 2.19 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.2035 |
| Heavy Atoms | 33 |
| Complexity | 835.0302 |
Chemical Identifiers
| CAS Number | 74051-30-2 |
|---|---|
| SMILES | CCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-] |
Product Overview
1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate (CAS 74051-30-2), with molecular formula C28H38BrNO3 and molecular weight 515.20 g/mol. IUPAC: (8-hexyl-8-methyl-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, 8-hexyl-3-hydroxy-, bromide, benzilate
Property Insights of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate
The XLogP value of 2.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate. With a topological polar surface area (TPSA) of 46.53 Ų, 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, 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, 8-hexyl-3-hydroxy-, bromide, benzilate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate?
The CAS number of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate is 74051-30-2.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate?
The molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate is C28H38BrNO3.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate?
The molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate is 515.20 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate?
You can request a quote for 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, 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, 8-hexyl-3-hydroxy-, bromide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropanium, 8-hexyl-3-hydroxy-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.