RefChem:475504
TL;DR: RefChem:475504 (CAS 431069-50-0) is a chemical compound with molecular formula C18H15F3N2O2 and molecular weight 348.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-4-[4-(2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol
Also Known As: AB00114586-01, 2-Methyl-4-(4-(o-tolyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl)benzene-1,3-diol, 2-METHYL-4-(4-(2-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)-1,3-BENZENEDIOL, 2-ME-4-(4-(2-METHYLPHENYL)-5-(TRIFLUOROMETHYL)-1H-PYRAZOL-3-YL)-1,3-BENZENEDIOL, 2-Methyl-4-(4-(2-methylphenyl)-5-(trifluoromethyl)1H-pyrazol-3-yl)-1, 3-benzenediol
| Molecular Formula | C18H15F3N2O2 |
|---|---|
| Molecular Weight | 348.11 g/mol |
| LogP | 4.79054 |
| Topological Polar Surface Area | 69.14 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.10855 |
| Heavy Atoms | 25 |
| Complexity | 945.9796 |
Chemical Identifiers
| CAS Number | 431069-50-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=C(NN=C2C3=C(C(=C(C=C3)O)C)O)C(F)(F)F |
Product Overview
RefChem:475504 (CAS 431069-50-0), with molecular formula C18H15F3N2O2 and molecular weight 348.11 g/mol. IUPAC: 2-methyl-4-[4-(2-methylphenyl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]benzene-1,3-diol.
Chemical Property Profile of RefChem:475504
Property Insights of RefChem:475504
The XLogP value of 4.79054 indicates that RefChem:475504 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.14 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:475504. Following Lipinski's Rule of Five, RefChem:475504 has 3 hydrogen bond donor(s) and 3 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 RefChem:475504?
The CAS number of RefChem:475504 is 431069-50-0.
What is the molecular formula of RefChem:475504?
The molecular formula of RefChem:475504 is C18H15F3N2O2.
What is the molecular weight of RefChem:475504?
The molecular weight of RefChem:475504 is 348.11 g/mol.
Where can I buy RefChem:475504?
You can request a quote for RefChem:475504 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:475504?
Yes, KEHONG BIO provides custom synthesis services for RefChem:475504 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.