Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide
TL;DR: Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide (CAS 243-19-6) is a chemical compound with molecular formula C17H21BrClNO and molecular weight 369.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-butan-2-yloxy-2-(4-chlorophenyl)ethyl]pyridin-1-ium bromide
Also Known As: KST-1B2115, 1-(beta-sec-Butoxy-p-chlorophenethyl)pyridinium bromide, 1-[2-(butan-2-yloxy)-2-(4-chlorophenyl)ethyl]pyridinium bromide, Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide, 1-[2-bromo-1-(hexyloxy)ethyl]-4-cyclohexylbenzene
| Molecular Formula | C17H21BrClNO |
|---|---|
| Molecular Weight | 369.05 g/mol |
| LogP | 1.1879 |
| Topological Polar Surface Area | 13.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 369.0495 |
| Heavy Atoms | 21 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 243-19-6 |
|---|---|
| SMILES | CCC(C)OC(C[N+]1=CC=CC=C1)C2=CC=C(C=C2)Cl.[Br-] |
| InChIKey | XVQFHWVWSBDITK-UHFFFAOYSA-M |
Product Overview
Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide (CAS 243-19-6), with molecular formula C17H21BrClNO and molecular weight 369.05 g/mol. IUPAC: 1-[2-butan-2-yloxy-2-(4-chlorophenyl)ethyl]pyridin-1-ium bromide.
Chemical Property Profile of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide
Property Insights of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide
The XLogP value of 1.1879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide. With a topological polar surface area (TPSA) of 13.1 Ų, Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, 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-butoxy-p-chlorophenethyl)-, bromide?
The CAS number of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide is 243-19-6.
What is the molecular formula of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide?
The molecular formula of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide is C17H21BrClNO.
What is the molecular weight of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide?
The molecular weight of Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide is 369.05 g/mol.
Where can I buy Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide?
You can request a quote for Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, 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-butoxy-p-chlorophenethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-(beta-sec-butoxy-p-chlorophenethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.