N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide
TL;DR: N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide (CAS 93839-12-4) is a chemical compound with molecular formula C15H22BrNO4 and molecular weight 359.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-methoxy-3-oxopropyl)-methyl-phenylazanium bromide
Also Known As: EINECS 298-781-8, N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide, bis(3-methoxy-3-oxopropyl)-methyl-phenylazanium bromide, bis(3-methoxy-3-oxopropyl)-methyl-phenylazanium,bromide
| Molecular Formula | C15H22BrNO4 |
|---|---|
| Molecular Weight | 359.07 g/mol |
| LogP | -1.2461 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 359.0732 |
| Heavy Atoms | 21 |
| Complexity | 430.24664 |
Chemical Identifiers
| CAS Number | 93839-12-4 |
|---|---|
| SMILES | C[N+](CCC(=O)OC)(CCC(=O)OC)C1=CC=CC=C1.[Br-] |
Product Overview
N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide (CAS 93839-12-4), with molecular formula C15H22BrNO4 and molecular weight 359.07 g/mol. IUPAC: bis(3-methoxy-3-oxopropyl)-methyl-phenylazanium bromide.
Chemical Property Profile of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide
Property Insights of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide
The XLogP value of -1.2461 indicates that N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide has 0 hydrogen bond donor(s) and 4 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 N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide?
The CAS number of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide is 93839-12-4.
What is the molecular formula of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide?
The molecular formula of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide is C15H22BrNO4.
What is the molecular weight of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide?
The molecular weight of N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide is 359.07 g/mol.
Where can I buy N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide?
You can request a quote for N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide?
Yes, KEHONG BIO provides custom synthesis services for N,N-Bis(3-methoxy-3-oxopropyl)-N-methylanilinium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.