Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide
TL;DR: Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide (CAS 17751-77-8) is a chemical compound with molecular formula C17H22BrNO and molecular weight 335.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-butan-2-yloxy-2-phenylethyl)pyridin-1-ium bromide
Also Known As: 1-(beta-sec-Butoxyphenethyl)pyridinium bromide, Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide, 1-(2-butan-2-yloxy-2-phenylethyl)pyridin-1-ium bromide, 1-{2-[(Butan-2-yl)oxy]-2-phenylethyl}pyridin-1-ium bromide, RefChem:377023
| Molecular Formula | C17H22BrNO |
|---|---|
| Molecular Weight | 335.09 g/mol |
| LogP | 0.5345 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 335.08847 |
| Heavy Atoms | 20 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 17751-77-8 |
|---|---|
| SMILES | CCC(C)OC(C[N+]1=CC=CC=C1)C2=CC=CC=C2.[Br-] |
| InChIKey | QXNAFWYLZVPXQF-UHFFFAOYSA-M |
Product Overview
Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide (CAS 17751-77-8), with molecular formula C17H22BrNO and molecular weight 335.09 g/mol. IUPAC: 1-(2-butan-2-yloxy-2-phenylethyl)pyridin-1-ium bromide.
Chemical Property Profile of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide
Property Insights of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide
The XLogP value of 0.5345 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide. With a topological polar surface area (TPSA) of 13.1 Ų, Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide has 0 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 Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide?
The CAS number of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide is 17751-77-8.
What is the molecular formula of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide?
The molecular formula of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide is C17H22BrNO.
What is the molecular weight of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide?
The molecular weight of Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide is 335.09 g/mol.
Where can I buy Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide?
You can request a quote for Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-(beta-sec-butoxyphenethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.