4-Phenylbutylammonium bromide
TL;DR: 4-Phenylbutylammonium bromide (CAS 120375-52-2) is a chemical compound with molecular formula C10H16BrN and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-phenylbutylazanium bromide
Also Known As: Benzenebutanammonium Bromide, phenylbutylammonium bromide, 4-Phenylbutylammonium bromide, 4-phenylbutylazanium bromide
| Molecular Formula | C10H16BrN |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | -1.7448 |
| Topological Polar Surface Area | 27.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 229.04662 |
| Heavy Atoms | 12 |
| Complexity | 186.28989 |
Chemical Identifiers
| CAS Number | 120375-52-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCC[NH3+].[Br-] |
Product Overview
4-Phenylbutylammonium bromide (CAS 120375-52-2), with molecular formula C10H16BrN and molecular weight 229.05 g/mol. IUPAC: 4-phenylbutylazanium bromide.
Chemical Property Profile of 4-Phenylbutylammonium bromide
Property Insights of 4-Phenylbutylammonium bromide
The XLogP value of -1.7448 indicates that 4-Phenylbutylammonium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 27.64 Ų, 4-Phenylbutylammonium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenylbutylammonium bromide has 1 hydrogen bond donor(s) and 0 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 4-Phenylbutylammonium bromide?
The CAS number of 4-Phenylbutylammonium bromide is 120375-52-2.
What is the molecular formula of 4-Phenylbutylammonium bromide?
The molecular formula of 4-Phenylbutylammonium bromide is C10H16BrN.
What is the molecular weight of 4-Phenylbutylammonium bromide?
The molecular weight of 4-Phenylbutylammonium bromide is 229.05 g/mol.
Where can I buy 4-Phenylbutylammonium bromide?
You can request a quote for 4-Phenylbutylammonium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenylbutylammonium bromide?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenylbutylammonium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.