IFLab1_004580
TL;DR: IFLab1_004580 (CAS 431920-79-5) is a chemical compound with molecular formula C21H17F3N4O2 and molecular weight 414.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-2-methyl-6-[4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol
Also Known As: IFLab1_004580, IDI1_010335, F1067-0066, 3-methoxy-2-methyl-6-(1'-phenyl-5-(trifluoromethyl)-1H,1'H-[4,4'-bipyrazol]-3-yl)phenol, (6E)-3-methoxy-2-methyl-6-[4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-1,2-dihydropyrazol-3-ylidene]cyclohexa-2,4-dien-1-one
| Molecular Formula | C21H17F3N4O2 |
|---|---|
| Molecular Weight | 414.13 g/mol |
| LogP | 4.97082 |
| Topological Polar Surface Area | 75.96 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 414.13037 |
| Heavy Atoms | 30 |
| Complexity | 1196.9346 |
Chemical Identifiers
| CAS Number | 431920-79-5 |
|---|---|
| SMILES | CC1=C(C=CC(=C1O)C2=NNC(=C2C3=CN(N=C3)C4=CC=CC=C4)C(F)(F)F)OC |
Product Overview
IFLab1_004580 (CAS 431920-79-5), with molecular formula C21H17F3N4O2 and molecular weight 414.13 g/mol. IUPAC: 3-methoxy-2-methyl-6-[4-(1-phenylpyrazol-4-yl)-5-(trifluoromethyl)-1H-pyrazol-3-yl]phenol.
Chemical Property Profile of IFLab1_004580
Property Insights of IFLab1_004580
The XLogP value of 4.97082 indicates that IFLab1_004580 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.96 Ų falls within the moderate polarity range, balancing permeability and solubility for IFLab1_004580. Following Lipinski's Rule of Five, IFLab1_004580 has 2 hydrogen bond donor(s) and 4 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 IFLab1_004580?
The CAS number of IFLab1_004580 is 431920-79-5.
What is the molecular formula of IFLab1_004580?
The molecular formula of IFLab1_004580 is C21H17F3N4O2.
What is the molecular weight of IFLab1_004580?
The molecular weight of IFLab1_004580 is 414.13 g/mol.
Where can I buy IFLab1_004580?
You can request a quote for IFLab1_004580 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for IFLab1_004580?
Yes, KEHONG BIO provides custom synthesis services for IFLab1_004580 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.