Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide
TL;DR: Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide (CAS 7176-52-5) is a chemical compound with molecular formula C20H26BrN3O3 and molecular weight 435.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]azanium bromide
Also Known As: Diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)ammonium bromide, Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide, diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]azanium bromide, N,N-Diethyl-N-methyl-2-(4-nitro-N-phenylbenzamido)ethan-1-aminium bromide, N,N-Diethyl-N-methyl-2-[(4-nitrobenzoyl)(phenyl)amino]ethan-1-aminium bromide
| Molecular Formula | C20H26BrN3O3 |
|---|---|
| Molecular Weight | 435.12 g/mol |
| LogP | 0.732 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.11575 |
| Heavy Atoms | 27 |
| Complexity | 459.0 |
Chemical Identifiers
| CAS Number | 7176-52-5 |
|---|---|
| SMILES | CC[N+](C)(CC)CCN(C1=CC=CC=C1)C(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Br-] |
| InChIKey | STTUXTYKONPGEP-UHFFFAOYSA-M |
Product Overview
Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide (CAS 7176-52-5), with molecular formula C20H26BrN3O3 and molecular weight 435.12 g/mol. IUPAC: diethyl-methyl-[2-(N-(4-nitrobenzoyl)anilino)ethyl]azanium bromide.
Chemical Property Profile of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide
Property Insights of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide
The XLogP value of 0.732 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide. Following Lipinski's Rule of Five, Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, 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, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide?
The CAS number of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide is 7176-52-5.
What is the molecular formula of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide?
The molecular formula of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide is C20H26BrN3O3.
What is the molecular weight of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide?
The molecular weight of Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide is 435.12 g/mol.
Where can I buy Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide?
You can request a quote for Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide?
Yes, KEHONG BIO provides custom synthesis services for Ammonium, diethylmethyl(2-(p-nitro-N-phenylbenzamido)ethyl)-, bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.