ChemDiv1_007456
TL;DR: ChemDiv1_007456 (CAS 263699-75-8) is a chemical compound with molecular formula C12H10BrF3N2O2 and molecular weight 349.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-bromophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
Also Known As: ChemDiv1_007456, BAS 00341626, BIM-0020139.P001, (3-bromophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone, (3-bromophenyl)[5-hydroxy-3-methyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl]methanone
| Molecular Formula | C12H10BrF3N2O2 |
|---|---|
| Molecular Weight | 349.99 g/mol |
| LogP | 2.9218 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 349.98776 |
| Heavy Atoms | 20 |
| Complexity | 588.3103 |
Chemical Identifiers
| CAS Number | 263699-75-8 |
|---|---|
| SMILES | CC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)Br |
Product Overview
ChemDiv1_007456 (CAS 263699-75-8), with molecular formula C12H10BrF3N2O2 and molecular weight 349.99 g/mol. IUPAC: (3-bromophenyl)-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
Chemical Property Profile of ChemDiv1_007456
Property Insights of ChemDiv1_007456
The XLogP value of 2.9218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_007456. With a topological polar surface area (TPSA) of 52.9 Ų, ChemDiv1_007456 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_007456 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_007456?
The CAS number of ChemDiv1_007456 is 263699-75-8.
What is the molecular formula of ChemDiv1_007456?
The molecular formula of ChemDiv1_007456 is C12H10BrF3N2O2.
What is the molecular weight of ChemDiv1_007456?
The molecular weight of ChemDiv1_007456 is 349.99 g/mol.
Where can I buy ChemDiv1_007456?
You can request a quote for ChemDiv1_007456 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_007456?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_007456 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.