Nitrofor
TL;DR: Nitrofor (CAS 5254-27-3) is a chemical compound with molecular formula C11H12F3N3O4 and molecular weight 307.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline
Also Known As: Nitrofor, N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline, N,N-diethyl-2,6-dinitro-4- aniline, N,N-Diethyl-2,6-dinitro-4-(trifluoromethyl)benzenamine, J1.447.633D
| Molecular Formula | C11H12F3N3O4 |
|---|---|
| Molecular Weight | 307.08 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.078 |
| Heavy Atoms | 21 |
| Complexity | 366.0 |
Chemical Identifiers
| CAS Number | 5254-27-3 |
|---|---|
| SMILES | CCN(CC)C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
| InChIKey | NLLHXVBITYTYHA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nitrofor (CAS 5254-27-3), with molecular formula C11H12F3N3O4 and molecular weight 307.08 g/mol. IUPAC: N,N-diethyl-2,6-dinitro-4-(trifluoromethyl)aniline.
Chemical Property Profile of Nitrofor
Property Insights of Nitrofor
The XLogP value of 4.4 indicates that Nitrofor is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitrofor. Following Lipinski's Rule of Five, Nitrofor has 0 hydrogen bond donor(s) and 8 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 Nitrofor?
The CAS number of Nitrofor is 5254-27-3.
What is the molecular formula of Nitrofor?
The molecular formula of Nitrofor is C11H12F3N3O4.
What is the molecular weight of Nitrofor?
The molecular weight of Nitrofor is 307.08 g/mol.
Where can I buy Nitrofor?
You can request a quote for Nitrofor directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitrofor?
Yes, KEHONG BIO provides custom synthesis services for Nitrofor and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.