8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate
TL;DR: 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate (CAS 74051-29-9) is a chemical compound with molecular formula C25H40BrNO3 and molecular weight 481.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-heptyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide
Also Known As: 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate, 1-alpha-H,5-alpha-H-Tropanium, 8-heptyl-3-hydroxy-, bromide, 4-hydroxy-2-phenylbutanoate, (8-heptyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide, 8-Azoniabicyclo[3.2.1]octane, 8-heptyl-3-(4-hydroxy-1-oxo-2-phenylbutoxy)-8-methyl-, bromide, 8-HEPTYL-3-[(4-HYDROXY-2-PHENYLBUTANOYL)OXY]-8-METHYL-8-AZABICYCLO[3.2.1]OCTAN-8-IUM BROMIDE
| Molecular Formula | C25H40BrNO3 |
|---|---|
| Molecular Weight | 481.22 g/mol |
| LogP | 1.8102 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 481.21915 |
| Heavy Atoms | 30 |
| Complexity | 624.5407 |
Chemical Identifiers
| CAS Number | 74051-29-9 |
|---|---|
| SMILES | CCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C.[Br-] |
Product Overview
8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate (CAS 74051-29-9), with molecular formula C25H40BrNO3 and molecular weight 481.22 g/mol. IUPAC: (8-heptyl-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide.
Chemical Property Profile of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate
Property Insights of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate
The XLogP value of 1.8102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate. With a topological polar surface area (TPSA) of 46.53 Ų, 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate has 1 hydrogen bond donor(s) and 3 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 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate?
The CAS number of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate is 74051-29-9.
What is the molecular formula of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate?
The molecular formula of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate is C25H40BrNO3.
What is the molecular weight of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate?
The molecular weight of 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate is 481.22 g/mol.
Where can I buy 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate?
You can request a quote for 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate?
Yes, KEHONG BIO provides custom synthesis services for 8-Heptyl-3-hydroxy-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.