1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate
TL;DR: 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate (CAS 2698-27-3) is a chemical compound with molecular formula C24H30BrNO3 and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: 8-Ethyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide benzilate, 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate, Nortropanium, 8-ethyl-3-hydroxy-8-methyl-, bromide, diphenylglycolate, (8-ethyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide, 8-Ethyl-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azabicyclo[3.2.1]octan-8-ium bromide
| Molecular Formula | C24H30BrNO3 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 0.6296 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1409 |
| Heavy Atoms | 29 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 2698-27-3 |
|---|---|
| SMILES | CC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C.[Br-] |
| InChIKey | ZFFMMXQZPXYZPW-UHFFFAOYSA-M |
Product Overview
1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate (CAS 2698-27-3), with molecular formula C24H30BrNO3 and molecular weight 459.14 g/mol. IUPAC: (8-ethyl-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-ethyl-3-hydroxy-, bromide, benzilate
Property Insights of 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate
The XLogP value of 0.6296 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate. With a topological polar surface area (TPSA) of 46.5 Ų, 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-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-ethyl-3-hydroxy-, 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, 8-ethyl-3-hydroxy-, bromide, benzilate?
The CAS number of 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate is 2698-27-3.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate?
The molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate is C24H30BrNO3.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate?
The molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate is 459.14 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate?
You can request a quote for 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-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-ethyl-3-hydroxy-, bromide, benzilate?
Yes, KEHONG BIO provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropanium, 8-ethyl-3-hydroxy-, bromide, benzilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.