4-hydroxy-2-phenyl-butanoatebromide
TL;DR: 4-hydroxy-2-phenyl-butanoatebromide (CAS 74063-36-8) is a chemical compound with molecular formula C27H44BrNO3 and molecular weight 509.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-8-nonyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide
Also Known As: 4-hydroxy-2-phenyl-butanoatebromide, 3-Hydroxy-8-nonyl-1-alpha-H,5-alpha-H-tropanium bromide 4-hydroxy-2-phenylbutanoate, 1-alpha-H,5-alpha-H-Tropanium, 3-hydroxy-8-nonyl-, bromide, 4-hydroxy-2-phenylbutanoate, (8-methyl-8-nonyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide, (8-methyl-8-nonyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate,bromide
| Molecular Formula | C27H44BrNO3 |
|---|---|
| Molecular Weight | 509.25 g/mol |
| LogP | 2.5904 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 509.25046 |
| Heavy Atoms | 32 |
| Complexity | 654.1251 |
Chemical Identifiers
| CAS Number | 74063-36-8 |
|---|---|
| SMILES | CCCCCCCCC[N+]1(C2CCC1CC(C2)OC(=O)C(CCO)C3=CC=CC=C3)C.[Br-] |
Product Overview
4-hydroxy-2-phenyl-butanoatebromide (CAS 74063-36-8), with molecular formula C27H44BrNO3 and molecular weight 509.25 g/mol. IUPAC: (8-methyl-8-nonyl-8-azoniabicyclo[3.2.1]octan-3-yl) 4-hydroxy-2-phenylbutanoate bromide.
Chemical Property Profile of 4-hydroxy-2-phenyl-butanoatebromide
Property Insights of 4-hydroxy-2-phenyl-butanoatebromide
The XLogP value of 2.5904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-hydroxy-2-phenyl-butanoatebromide. With a topological polar surface area (TPSA) of 46.53 Ų, 4-hydroxy-2-phenyl-butanoatebromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-hydroxy-2-phenyl-butanoatebromide 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 4-hydroxy-2-phenyl-butanoatebromide?
The CAS number of 4-hydroxy-2-phenyl-butanoatebromide is 74063-36-8.
What is the molecular formula of 4-hydroxy-2-phenyl-butanoatebromide?
The molecular formula of 4-hydroxy-2-phenyl-butanoatebromide is C27H44BrNO3.
What is the molecular weight of 4-hydroxy-2-phenyl-butanoatebromide?
The molecular weight of 4-hydroxy-2-phenyl-butanoatebromide is 509.25 g/mol.
Where can I buy 4-hydroxy-2-phenyl-butanoatebromide?
You can request a quote for 4-hydroxy-2-phenyl-butanoatebromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-hydroxy-2-phenyl-butanoatebromide?
Yes, KEHONG BIO provides custom synthesis services for 4-hydroxy-2-phenyl-butanoatebromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.