3-(2,4-Dinitrophenoxy)aniline
TL;DR: 3-(2,4-Dinitrophenoxy)aniline (CAS 2363-31-7) is a chemical compound with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2,4-dinitrophenoxy)aniline
Also Known As: 3-(2,4-dinitrophenoxy)aniline, NCIOpen2_002872, 3-Amino-2'.4'-dinitro-diphenylether, Benzenamine,3-(2,4-dinitrophenoxy)-
| Molecular Formula | C12H9N3O5 |
|---|---|
| Molecular Weight | 275.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.05423 |
| Heavy Atoms | 20 |
| Complexity | 367.0 |
Chemical Identifiers
| CAS Number | 2363-31-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | RDWDFBCSMUNDMY-UHFFFAOYSA-N |
Product Overview
3-(2,4-Dinitrophenoxy)aniline (CAS 2363-31-7), with molecular formula C12H9N3O5 and molecular weight 275.05 g/mol. IUPAC: 3-(2,4-dinitrophenoxy)aniline.
Chemical Property Profile of 3-(2,4-Dinitrophenoxy)aniline
Property Insights of 3-(2,4-Dinitrophenoxy)aniline
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2,4-Dinitrophenoxy)aniline. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2,4-Dinitrophenoxy)aniline. Following Lipinski's Rule of Five, 3-(2,4-Dinitrophenoxy)aniline has 1 hydrogen bond donor(s) and 6 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 3-(2,4-Dinitrophenoxy)aniline?
The CAS number of 3-(2,4-Dinitrophenoxy)aniline is 2363-31-7.
What is the molecular formula of 3-(2,4-Dinitrophenoxy)aniline?
The molecular formula of 3-(2,4-Dinitrophenoxy)aniline is C12H9N3O5.
What is the molecular weight of 3-(2,4-Dinitrophenoxy)aniline?
The molecular weight of 3-(2,4-Dinitrophenoxy)aniline is 275.05 g/mol.
Where can I buy 3-(2,4-Dinitrophenoxy)aniline?
You can request a quote for 3-(2,4-Dinitrophenoxy)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2,4-Dinitrophenoxy)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(2,4-Dinitrophenoxy)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.