ChemDiv1_007498
TL;DR: ChemDiv1_007498 (CAS 376601-84-2) is a chemical compound with molecular formula C17H12BrF3N2O2 and molecular weight 412.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-bromophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: ChemDiv1_007498, (4-bromophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, (4-bromophenyl)[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone, 1-(4-bromobenzoyl)-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, (4-bromophenyl)(5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)methanone
| Molecular Formula | C17H12BrF3N2O2 |
|---|---|
| Molecular Weight | 412.00 g/mol |
| LogP | 3.9502 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 412.00342 |
| Heavy Atoms | 25 |
| Complexity | 822.0366 |
Chemical Identifiers
| CAS Number | 376601-84-2 |
|---|---|
| SMILES | C1C(=NN(C1(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)Br)C3=CC=CC=C3 |
Product Overview
ChemDiv1_007498 (CAS 376601-84-2), with molecular formula C17H12BrF3N2O2 and molecular weight 412.00 g/mol. IUPAC: (4-bromophenyl)-[5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of ChemDiv1_007498
Property Insights of ChemDiv1_007498
The XLogP value of 3.9502 indicates that ChemDiv1_007498 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, ChemDiv1_007498 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007498 has 1 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 ChemDiv1_007498?
The CAS number of ChemDiv1_007498 is 376601-84-2.
What is the molecular formula of ChemDiv1_007498?
The molecular formula of ChemDiv1_007498 is C17H12BrF3N2O2.
What is the molecular weight of ChemDiv1_007498?
The molecular weight of ChemDiv1_007498 is 412.00 g/mol.
Where can I buy ChemDiv1_007498?
You can request a quote for ChemDiv1_007498 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007498?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007498 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.