A4079/0173841
TL;DR: A4079/0173841 (CAS 893768-80-4) is a chemical compound with molecular formula C18H11F3N4O5 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[2,6-dinitro-4-(trifluoromethyl)phenyl]imidazol-2-yl]-(4-methylphenyl)methanone
Also Known As: A4079/0173841, [1-[2,6-dinitro-4-(trifluoromethyl)phenyl]imidazol-2-yl]-(4-methylphenyl)methanone, {1-[2,6-dinitro-4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl}(4-methylphenyl)methanone, 1-[2,6-DINITRO-4-(TRIFLUOROMETHYL)PHENYL]-2-(4-METHYLBENZOYL)-1H-IMIDAZOLE
| Molecular Formula | C18H11F3N4O5 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 4.24692 |
| Topological Polar Surface Area | 121.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 420.06815 |
| Heavy Atoms | 30 |
| Complexity | 1134.3052 |
Chemical Identifiers
| CAS Number | 893768-80-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=NC=CN2C3=C(C=C(C=C3[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-] |
Product Overview
A4079/0173841 (CAS 893768-80-4), with molecular formula C18H11F3N4O5 and molecular weight 420.07 g/mol. IUPAC: [1-[2,6-dinitro-4-(trifluoromethyl)phenyl]imidazol-2-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of A4079/0173841
Property Insights of A4079/0173841
The XLogP value of 4.24692 indicates that A4079/0173841 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.17 Ų falls within the moderate polarity range, balancing permeability and solubility for A4079/0173841. Following Lipinski's Rule of Five, A4079/0173841 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 A4079/0173841?
The CAS number of A4079/0173841 is 893768-80-4.
What is the molecular formula of A4079/0173841?
The molecular formula of A4079/0173841 is C18H11F3N4O5.
What is the molecular weight of A4079/0173841?
The molecular weight of A4079/0173841 is 420.07 g/mol.
Where can I buy A4079/0173841?
You can request a quote for A4079/0173841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4079/0173841?
Yes, KEHONG BIO provides custom synthesis services for A4079/0173841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.