2-哌啶基苯乙酮氢溴酸盐
TL;DR: 2-哌啶基苯乙酮氢溴酸盐 (CAS 31806-84-5) is a chemical compound with molecular formula C13H18BrNO and molecular weight 283.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-哌啶基苯乙酮氢溴酸盐
1-phenyl-2-piperidin-1-ium-1-ylethanone bromide
Also Known As: 2-Piperidinoacetophenone hydrobromide, ACETOPHENONE, 2-PIPERIDINO-, HYDROBROMIDE, 1-phenyl-2-piperidin-1-ium-1-ylethanone bromide, Ethanone, 1-phenyl-2-(1-piperidinyl)-, hydrobromide, RefChem:1075927
| Molecular Formula | C13H18BrNO |
|---|---|
| Molecular Weight | 283.06 g/mol |
| LogP | -2.06 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 283.0572 |
| Heavy Atoms | 16 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 31806-84-5 |
|---|---|
| SMILES | C1CC[NH+](CC1)CC(=O)C2=CC=CC=C2.[Br-] |
| InChIKey | BUXFVGOUTJIYPK-UHFFFAOYSA-N |
Product Overview
2-哌啶基苯乙酮氢溴酸盐 (CAS 31806-84-5), with molecular formula C13H18BrNO and molecular weight 283.06 g/mol. IUPAC: 1-phenyl-2-piperidin-1-ium-1-ylethanone bromide.
Chemical Property Profile of 2-哌啶基苯乙酮氢溴酸盐
Property Insights of 2-哌啶基苯乙酮氢溴酸盐
The XLogP value of -2.06 indicates that 2-哌啶基苯乙酮氢溴酸盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, 2-哌啶基苯乙酮氢溴酸盐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-哌啶基苯乙酮氢溴酸盐 has 1 hydrogen bond donor(s) and 2 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 2-哌啶基苯乙酮氢溴酸盐?
The CAS number of 2-哌啶基苯乙酮氢溴酸盐 is 31806-84-5.
What is the molecular formula of 2-哌啶基苯乙酮氢溴酸盐?
The molecular formula of 2-哌啶基苯乙酮氢溴酸盐 is C13H18BrNO.
What is the molecular weight of 2-哌啶基苯乙酮氢溴酸盐?
The molecular weight of 2-哌啶基苯乙酮氢溴酸盐 is 283.06 g/mol.
Where can I buy 2-哌啶基苯乙酮氢溴酸盐?
You can request a quote for 2-哌啶基苯乙酮氢溴酸盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-哌啶基苯乙酮氢溴酸盐?
Yes, KEHONG BIO provides custom synthesis services for 2-哌啶基苯乙酮氢溴酸盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.