2,3-Dinitro-4-propoxyaniline
TL;DR: 2,3-Dinitro-4-propoxyaniline (CAS 342043-29-2) is a chemical compound with molecular formula C9H11N3O5 and molecular weight 241.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dinitro-4-propoxyaniline
Also Known As: 2,3-dinitro-4-propoxyaniline, AE-562/12222112
| Molecular Formula | C9H11N3O5 |
|---|---|
| Molecular Weight | 241.07 g/mol |
| LogP | 1.874 |
| Topological Polar Surface Area | 121.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 241.06987 |
| Heavy Atoms | 17 |
| Complexity | 460.1897 |
Chemical Identifiers
| CAS Number | 342043-29-2 |
|---|---|
| SMILES | CCCOC1=C(C(=C(C=C1)N)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2,3-Dinitro-4-propoxyaniline (CAS 342043-29-2), with molecular formula C9H11N3O5 and molecular weight 241.07 g/mol. IUPAC: 2,3-dinitro-4-propoxyaniline.
Chemical Property Profile of 2,3-Dinitro-4-propoxyaniline
Property Insights of 2,3-Dinitro-4-propoxyaniline
The XLogP value of 1.874 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Dinitro-4-propoxyaniline. The TPSA of 121.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Dinitro-4-propoxyaniline. Following Lipinski's Rule of Five, 2,3-Dinitro-4-propoxyaniline 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 2,3-Dinitro-4-propoxyaniline?
The CAS number of 2,3-Dinitro-4-propoxyaniline is 342043-29-2.
What is the molecular formula of 2,3-Dinitro-4-propoxyaniline?
The molecular formula of 2,3-Dinitro-4-propoxyaniline is C9H11N3O5.
What is the molecular weight of 2,3-Dinitro-4-propoxyaniline?
The molecular weight of 2,3-Dinitro-4-propoxyaniline is 241.07 g/mol.
Where can I buy 2,3-Dinitro-4-propoxyaniline?
You can request a quote for 2,3-Dinitro-4-propoxyaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dinitro-4-propoxyaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dinitro-4-propoxyaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.