2,4-dinitro-N-prop-2-enylaniline
TL;DR: 2,4-dinitro-N-prop-2-enylaniline (CAS 7403-39-6) is a chemical compound with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dinitro-N-prop-2-enylaniline
Also Known As: Aniline,4-dinitro-, 2,4-dinitro-N-prop-2-enylaniline, N-Allyl-2,4-dinitroaniline, Aniline, N-allyl-2,4-dinitro-, N-allyl-2,4-dinitro-aniline
| Molecular Formula | C9H9N3O4 |
|---|---|
| Molecular Weight | 223.06 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 | 223.05931 |
| Heavy Atoms | 16 |
| Complexity | 283.0 |
Chemical Identifiers
| CAS Number | 7403-39-6 |
|---|---|
| SMILES | C=CCNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | XTYIONQQZHXKNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-dinitro-N-prop-2-enylaniline (CAS 7403-39-6), with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol. IUPAC: 2,4-dinitro-N-prop-2-enylaniline.
Chemical Property Profile of 2,4-dinitro-N-prop-2-enylaniline
Property Insights of 2,4-dinitro-N-prop-2-enylaniline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-dinitro-N-prop-2-enylaniline. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-dinitro-N-prop-2-enylaniline. Following Lipinski's Rule of Five, 2,4-dinitro-N-prop-2-enylaniline 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 2,4-dinitro-N-prop-2-enylaniline?
The CAS number of 2,4-dinitro-N-prop-2-enylaniline is 7403-39-6.
What is the molecular formula of 2,4-dinitro-N-prop-2-enylaniline?
The molecular formula of 2,4-dinitro-N-prop-2-enylaniline is C9H9N3O4.
What is the molecular weight of 2,4-dinitro-N-prop-2-enylaniline?
The molecular weight of 2,4-dinitro-N-prop-2-enylaniline is 223.06 g/mol.
Where can I buy 2,4-dinitro-N-prop-2-enylaniline?
You can request a quote for 2,4-dinitro-N-prop-2-enylaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-dinitro-N-prop-2-enylaniline?
Yes, KEHONG BIO provides custom synthesis services for 2,4-dinitro-N-prop-2-enylaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.