Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide
TL;DR: Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide (CAS 64047-38-7) is a chemical compound with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-(2-nitrobenzoyl)oxyphenyl]azanium bromide
Also Known As: Ro 2-2748, 3-(Nitrobenzoyloxy)phenyltrimethylammonium bromide, Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide, trimethyl-[3-(2-nitrobenzoyl)oxyphenyl]azanium bromide, trimethyl-[3-(2-nitrobenzoyl)oxyphenyl]azanium,bromide
| Molecular Formula | C16H17BrN2O4 |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 0.0147 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.03717 |
| Heavy Atoms | 23 |
| Complexity | 726.0153 |
Chemical Identifiers
| CAS Number | 64047-38-7 |
|---|---|
| SMILES | C[N+](C)(C)C1=CC(=CC=C1)OC(=O)C2=CC=CC=C2[N+](=O)[O-].[Br-] |
Product Overview
Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide (CAS 64047-38-7), with molecular formula C16H17BrN2O4 and molecular weight 380.04 g/mol. IUPAC: trimethyl-[3-(2-nitrobenzoyl)oxyphenyl]azanium bromide.
Chemical Property Profile of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide
Property Insights of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide
The XLogP value of 0.0147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide. Following Lipinski's Rule of Five, Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, 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 Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide?
The CAS number of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide is 64047-38-7.
What is the molecular formula of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide?
The molecular formula of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide is C16H17BrN2O4.
What is the molecular weight of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide?
The molecular weight of Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide is 380.04 g/mol.
Where can I buy Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide?
You can request a quote for Ammonium, 3-(nitrobenzoyloxy)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-(nitrobenzoyloxy)phenyltrimethyl-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, 3-(nitrobenzoyloxy)phenyltrimethyl-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.