7N-003
TL;DR: 7N-003 (CAS 339018-19-8) is a chemical compound with molecular formula C16H7F6N5O6 and molecular weight 479.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one
Also Known As: 7N-003, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C16H7F6N5O6 |
|---|---|
| Molecular Weight | 479.03 g/mol |
| LogP | 3.757 |
| Topological Polar Surface Area | 135.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.03006 |
| Heavy Atoms | 33 |
| Complexity | 1259.9237 |
Chemical Identifiers
| CAS Number | 339018-19-8 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OC(F)(F)F |
Product Overview
7N-003 (CAS 339018-19-8), with molecular formula C16H7F6N5O6 and molecular weight 479.03 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-one.
Chemical Property Profile of 7N-003
Property Insights of 7N-003
The XLogP value of 3.757 indicates that 7N-003 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 135.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 7N-003. Following Lipinski's Rule of Five, 7N-003 has 0 hydrogen bond donor(s) and 7 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 7N-003?
The CAS number of 7N-003 is 339018-19-8.
What is the molecular formula of 7N-003?
The molecular formula of 7N-003 is C16H7F6N5O6.
What is the molecular weight of 7N-003?
The molecular weight of 7N-003 is 479.03 g/mol.
Where can I buy 7N-003?
You can request a quote for 7N-003 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7N-003?
Yes, KEHONG BIO provides custom synthesis services for 7N-003 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.