Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide
TL;DR: Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide (CAS 64048-27-7) is a chemical compound with molecular formula C16H17BrClNO2 and molecular weight 369.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorobenzoyl)oxyphenyl]-trimethylazanium bromide
Also Known As: Ro 2-2798, 3-(p-Chlorobenzoyloxy)phenyltrimethylammonium bromide, [3-(4-chlorobenzoyl)oxyphenyl]-trimethylazanium bromide, AMMONIUM, 3-(p-CHLOROBENZOYLOXY)PHENYLTRIMETHYL-, BROMIDE, 3-[(4-Chlorobenzoyl)oxy]-N,N,N-trimethylanilinium bromide
| Molecular Formula | C16H17BrClNO2 |
|---|---|
| Molecular Weight | 369.01 g/mol |
| LogP | 0.76 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 369.01312 |
| Heavy Atoms | 21 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 64048-27-7 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)C2=CC=C(C=C2)Cl.[Br-] |
| InChIKey | ADSMCWDSEPBBCF-UHFFFAOYSA-M |
Product Overview
Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide (CAS 64048-27-7), with molecular formula C16H17BrClNO2 and molecular weight 369.01 g/mol. IUPAC: [3-(4-chlorobenzoyl)oxyphenyl]-trimethylazanium bromide.
Chemical Property Profile of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide
Property Insights of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide
The XLogP value of 0.76 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide. With a topological polar surface area (TPSA) of 26.3 Ų, Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide has 0 hydrogen bond donor(s) and 3 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 Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide?
The CAS number of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide is 64048-27-7.
What is the molecular formula of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide?
The molecular formula of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide is C16H17BrClNO2.
What is the molecular weight of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide?
The molecular weight of Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide is 369.01 g/mol.
Where can I buy Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide?
You can request a quote for Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, 3-(p-chlorobenzoyloxy)phenyltrimethyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.