N-cyclopropyl-2,4-dinitroaniline
TL;DR: N-cyclopropyl-2,4-dinitroaniline (CAS 31846-29-4) 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.
N-cyclopropyl-2,4-dinitroaniline
Also Known As: N-cyclopropyl-2,4-dinitroaniline, N-Cyclopropyl-2,4-dinitroaniline >90%
| Molecular Formula | C9H9N3O4 |
|---|---|
| Molecular Weight | 223.06 g/mol |
| LogP | 2.0773 |
| Topological Polar Surface Area | 98.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 223.05931 |
| Heavy Atoms | 16 |
| Complexity | 456.06735 |
Chemical Identifiers
| CAS Number | 31846-29-4 |
|---|---|
| SMILES | C1CC1NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
N-cyclopropyl-2,4-dinitroaniline (CAS 31846-29-4), with molecular formula C9H9N3O4 and molecular weight 223.06 g/mol. IUPAC: N-cyclopropyl-2,4-dinitroaniline.
Chemical Property Profile of N-cyclopropyl-2,4-dinitroaniline
Property Insights of N-cyclopropyl-2,4-dinitroaniline
The XLogP value of 2.0773 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-cyclopropyl-2,4-dinitroaniline. The TPSA of 98.31 Ų falls within the moderate polarity range, balancing permeability and solubility for N-cyclopropyl-2,4-dinitroaniline. Following Lipinski's Rule of Five, N-cyclopropyl-2,4-dinitroaniline 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 N-cyclopropyl-2,4-dinitroaniline?
The CAS number of N-cyclopropyl-2,4-dinitroaniline is 31846-29-4.
What is the molecular formula of N-cyclopropyl-2,4-dinitroaniline?
The molecular formula of N-cyclopropyl-2,4-dinitroaniline is C9H9N3O4.
What is the molecular weight of N-cyclopropyl-2,4-dinitroaniline?
The molecular weight of N-cyclopropyl-2,4-dinitroaniline is 223.06 g/mol.
Where can I buy N-cyclopropyl-2,4-dinitroaniline?
You can request a quote for N-cyclopropyl-2,4-dinitroaniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-cyclopropyl-2,4-dinitroaniline?
Yes, KEHONG BIO provides custom synthesis services for N-cyclopropyl-2,4-dinitroaniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.