1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)
TL;DR: 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) (CAS 63977-76-4) is a chemical compound with molecular formula C29H32BrNO3 and molecular weight 521.15656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(8-benzyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate bromide
Also Known As: N-220, N-294, 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester), 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-alpha-hydroxy-, bromide, benzilate (ester), 8-benzyl-3-{[hydroxy(diphenyl)acetyl]oxy}-8-methyl-8-azoniabicyclo[3.2.1]octane bromide
Technical Specifications
| Molecular Formula | C29H32BrNO3 |
| Molecular Weight | 521.15656 g/mol |
| XLogP | 1.81 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 521.15656 Da |
| Heavy Atoms | 34 |
| Complexity | 628.0 |
| SMILES | C[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)CC5=CC=CC=C5.[Br-] |
| InChIKey | KPCLDXRCQCEGKE-UHFFFAOYSA-M |
Chemical Property Profile of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)
Property Insights of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)
The XLogP value of 1.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester). With a topological polar surface area (TPSA) of 46.5 Ų, 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)?
The CAS number of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) is 63977-76-4.
What is the molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)?
The molecular formula of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) is C29H32BrNO3.
What is the molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)?
The molecular weight of 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) is 521.15656 g/mol.
Where can I buy 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)?
You can request a quote for 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester)?
Yes, CoreyChem provides custom synthesis services for 1-alpha-H,5-alpha-H-Tropanium, 8-benzyl-3-hydroxy-, bromide, benzilate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.