2F-049
TL;DR: 2F-049 (CAS 400078-58-2) is a chemical compound with molecular formula C20H14ClF3N4O2 and molecular weight 434.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-5-methyl-4-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole
Also Known As: 2F-049, 3-(2-chlorophenyl)-5-methyl-4-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole, 3-[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazole, 3-(2-Chlorophenyl)-5-methyl-4-(5-((3-(trifluoromethyl)phenoxy)methyl)-1H-1,2,4-triazol-3-yl)isoxazole, 3-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-5-{[3-(trifluoromethyl)phenoxy]methyl}-1H-1,2,4-triazole
| Molecular Formula | C20H14ClF3N4O2 |
|---|---|
| Molecular Weight | 434.08 g/mol |
| LogP | 5.68632 |
| Topological Polar Surface Area | 76.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 434.07574 |
| Heavy Atoms | 30 |
| Complexity | 1186.7659 |
Chemical Identifiers
| CAS Number | 400078-58-2 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=CC=CC=C2Cl)C3=NNC(=N3)COC4=CC=CC(=C4)C(F)(F)F |
Product Overview
2F-049 (CAS 400078-58-2), with molecular formula C20H14ClF3N4O2 and molecular weight 434.08 g/mol. IUPAC: 3-(2-chlorophenyl)-5-methyl-4-[5-[[3-(trifluoromethyl)phenoxy]methyl]-1H-1,2,4-triazol-3-yl]-1,2-oxazole.
Chemical Property Profile of 2F-049
Property Insights of 2F-049
The XLogP value of 5.68632 indicates that 2F-049 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2F-049. Following Lipinski's Rule of Five, 2F-049 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2F-049?
The CAS number of 2F-049 is 400078-58-2.
What is the molecular formula of 2F-049?
The molecular formula of 2F-049 is C20H14ClF3N4O2.
What is the molecular weight of 2F-049?
The molecular weight of 2F-049 is 434.08 g/mol.
Where can I buy 2F-049?
You can request a quote for 2F-049 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2F-049?
Yes, KEHONG BIO provides custom synthesis services for 2F-049 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.