6N-017
TL;DR: 6N-017 (CAS 343373-30-8) is a chemical compound with molecular formula C18H14F3N5O5 and molecular weight 437.09 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-propan-2-ylphenyl)-1,2,4-triazol-3-one
Also Known As: 6N-017, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one, 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-isopropylphenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one, 1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
| Molecular Formula | C18H14F3N5O5 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 3.9818 |
| Topological Polar Surface Area | 126.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0947 |
| Heavy Atoms | 31 |
| Complexity | 1193.613 |
Chemical Identifiers
| CAS Number | 343373-30-8 |
|---|---|
| SMILES | CC(C)C1=CC=C(C=C1)N2C=NN(C2=O)C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
6N-017 (CAS 343373-30-8), with molecular formula C18H14F3N5O5 and molecular weight 437.09 g/mol. IUPAC: 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]-4-(4-propan-2-ylphenyl)-1,2,4-triazol-3-one.
Chemical Property Profile of 6N-017
Property Insights of 6N-017
The XLogP value of 3.9818 indicates that 6N-017 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 126.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 6N-017. Following Lipinski's Rule of Five, 6N-017 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 6N-017?
The CAS number of 6N-017 is 343373-30-8.
What is the molecular formula of 6N-017?
The molecular formula of 6N-017 is C18H14F3N5O5.
What is the molecular weight of 6N-017?
The molecular weight of 6N-017 is 437.09 g/mol.
Where can I buy 6N-017?
You can request a quote for 6N-017 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-017?
Yes, KEHONG BIO provides custom synthesis services for 6N-017 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.