N-(2,4-Dinitrophenoxy)propan-2-imine
TL;DR: N-(2,4-Dinitrophenoxy)propan-2-imine (CAS 13181-10-7) is a chemical compound with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,4-dinitrophenoxy)propan-2-imine
Also Known As: N-(2,4-dinitrophenoxy)propan-2-imine, O-(2,4-dinitrophenyl)acetoxime, O-(2,4-dinitrophenyl)propanoneoxime, 2-Propanone,O-(2,4-dinitrophenyl)oxime, propan-2-one O-(2,4-dinitrophenyl) oxime
| Molecular Formula | C9H9N3O5 |
|---|---|
| Molecular Weight | 239.05 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.05421 |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 13181-10-7 |
|---|---|
| SMILES | CC(=NOC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C |
| InChIKey | FRNRURMYMBFWLM-UHFFFAOYSA-N |
Product Overview
N-(2,4-Dinitrophenoxy)propan-2-imine (CAS 13181-10-7), with molecular formula C9H9N3O5 and molecular weight 239.05 g/mol. IUPAC: N-(2,4-dinitrophenoxy)propan-2-imine.
Chemical Property Profile of N-(2,4-Dinitrophenoxy)propan-2-imine
Property Insights of N-(2,4-Dinitrophenoxy)propan-2-imine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,4-Dinitrophenoxy)propan-2-imine. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,4-Dinitrophenoxy)propan-2-imine. Following Lipinski's Rule of Five, N-(2,4-Dinitrophenoxy)propan-2-imine has 0 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 N-(2,4-Dinitrophenoxy)propan-2-imine?
The CAS number of N-(2,4-Dinitrophenoxy)propan-2-imine is 13181-10-7.
What is the molecular formula of N-(2,4-Dinitrophenoxy)propan-2-imine?
The molecular formula of N-(2,4-Dinitrophenoxy)propan-2-imine is C9H9N3O5.
What is the molecular weight of N-(2,4-Dinitrophenoxy)propan-2-imine?
The molecular weight of N-(2,4-Dinitrophenoxy)propan-2-imine is 239.05 g/mol.
Where can I buy N-(2,4-Dinitrophenoxy)propan-2-imine?
You can request a quote for N-(2,4-Dinitrophenoxy)propan-2-imine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,4-Dinitrophenoxy)propan-2-imine?
Yes, KEHONG BIO provides custom synthesis services for N-(2,4-Dinitrophenoxy)propan-2-imine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.