Aniline, N-(2-chloroethyl)-2,4-dinitro-
TL;DR: Aniline, N-(2-chloroethyl)-2,4-dinitro- (CAS 16830-65-2) is a chemical compound with molecular formula C8H8ClN3O4 and molecular weight 245.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyl)-2,4-dinitroaniline
Also Known As: Aniline,4-dinitro-, Benzenamine,4-dinitro-, N-(2-Chloroethyl)-2,4-dinitroaniline, N-beta-Chloroethyl-2,4-dinitroaniline, 1-(2-Chloroethyl)amino-2,4-dinitrobenzene
| Molecular Formula | C8H8ClN3O4 |
|---|---|
| Molecular Weight | 245.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.02034 |
| Heavy Atoms | 16 |
| Complexity | 265.0 |
Chemical Identifiers
| CAS Number | 16830-65-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NCCCl |
| InChIKey | KIUINNCYJPPOLM-UHFFFAOYSA-N |
Product Overview
Aniline, N-(2-chloroethyl)-2,4-dinitro- (CAS 16830-65-2), with molecular formula C8H8ClN3O4 and molecular weight 245.02 g/mol. IUPAC: N-(2-chloroethyl)-2,4-dinitroaniline.
Chemical Property Profile of Aniline, N-(2-chloroethyl)-2,4-dinitro-
Property Insights of Aniline, N-(2-chloroethyl)-2,4-dinitro-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aniline, N-(2-chloroethyl)-2,4-dinitro-. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Aniline, N-(2-chloroethyl)-2,4-dinitro-. Following Lipinski's Rule of Five, Aniline, N-(2-chloroethyl)-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-chloroethyl)-2,4-dinitro-?
The CAS number of Aniline, N-(2-chloroethyl)-2,4-dinitro- is 16830-65-2.
What is the molecular formula of Aniline, N-(2-chloroethyl)-2,4-dinitro-?
The molecular formula of Aniline, N-(2-chloroethyl)-2,4-dinitro- is C8H8ClN3O4.
What is the molecular weight of Aniline, N-(2-chloroethyl)-2,4-dinitro-?
The molecular weight of Aniline, N-(2-chloroethyl)-2,4-dinitro- is 245.02 g/mol.
Where can I buy Aniline, N-(2-chloroethyl)-2,4-dinitro-?
You can request a quote for Aniline, N-(2-chloroethyl)-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-chloroethyl)-2,4-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for Aniline, N-(2-chloroethyl)-2,4-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.