Aniline, N-(2-bromoethyl)-2,4-dinitro-
TL;DR: Aniline, N-(2-bromoethyl)-2,4-dinitro- (CAS 22551-75-3) is a chemical compound with molecular formula C8H8BrN3O4 and molecular weight 288.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-bromoethyl)-2,4-dinitroaniline
Also Known As: N-(2-Bromoethyl)-2,4-dinitroaniline, N-beta-Bromoethyl-2,4-dinitroaniline, ANILINE, N-(2-BROMOETHYL)-2,4-DINITRO-, Benzenamine, N-(2-bromoethyl)-2,4-dinitro-, BRN 2869003
| Molecular Formula | C8H8BrN3O4 |
|---|---|
| Molecular Weight | 288.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.96982 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 22551-75-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCBr |
| InChIKey | JFCPYMJQUYMTES-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aniline, N-(2-bromoethyl)-2,4-dinitro- (CAS 22551-75-3), with molecular formula C8H8BrN3O4 and molecular weight 288.97 g/mol. IUPAC: N-(2-bromoethyl)-2,4-dinitroaniline.
Chemical Property Profile of Aniline, N-(2-bromoethyl)-2,4-dinitro-
Property Insights of Aniline, N-(2-bromoethyl)-2,4-dinitro-
The XLogP value of 3.0 indicates that Aniline, N-(2-bromoethyl)-2,4-dinitro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, N-(2-bromoethyl)-2,4-dinitro-. Following Lipinski's Rule of Five, Aniline, N-(2-bromoethyl)-2,4-dinitro- has 1 hydrogen bond donor(s) and 5 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 Aniline, N-(2-bromoethyl)-2,4-dinitro-?
The CAS number of Aniline, N-(2-bromoethyl)-2,4-dinitro- is 22551-75-3.
What is the molecular formula of Aniline, N-(2-bromoethyl)-2,4-dinitro-?
The molecular formula of Aniline, N-(2-bromoethyl)-2,4-dinitro- is C8H8BrN3O4.
What is the molecular weight of Aniline, N-(2-bromoethyl)-2,4-dinitro-?
The molecular weight of Aniline, N-(2-bromoethyl)-2,4-dinitro- is 288.97 g/mol.
Where can I buy Aniline, N-(2-bromoethyl)-2,4-dinitro-?
You can request a quote for Aniline, N-(2-bromoethyl)-2,4-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aniline, N-(2-bromoethyl)-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(2-bromoethyl)-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.