J2.823.846K
TL;DR: J2.823.846K (CAS 444058-55-3) is a chemical compound with molecular formula C12H10BrF3N2O3 and molecular weight 365.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Also Known As: J2.823.846K, methyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate, methyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate, 3-(4-Bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylic acid methyl ester
| Molecular Formula | C12H10BrF3N2O3 |
|---|---|
| Molecular Weight | 365.98 g/mol |
| LogP | 2.8762 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 365.9827 |
| Heavy Atoms | 21 |
| Complexity | 588.4056 |
Chemical Identifiers
| CAS Number | 444058-55-3 |
|---|---|
| SMILES | COC(=O)N1C(CC(=N1)C2=CC=C(C=C2)Br)(C(F)(F)F)O |
Product Overview
J2.823.846K (CAS 444058-55-3), with molecular formula C12H10BrF3N2O3 and molecular weight 365.98 g/mol. IUPAC: methyl 3-(4-bromophenyl)-5-hydroxy-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate.
Chemical Property Profile of J2.823.846K
Property Insights of J2.823.846K
The XLogP value of 2.8762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J2.823.846K. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for J2.823.846K. Following Lipinski's Rule of Five, J2.823.846K has 1 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 J2.823.846K?
The CAS number of J2.823.846K is 444058-55-3.
What is the molecular formula of J2.823.846K?
The molecular formula of J2.823.846K is C12H10BrF3N2O3.
What is the molecular weight of J2.823.846K?
The molecular weight of J2.823.846K is 365.98 g/mol.
Where can I buy J2.823.846K?
You can request a quote for J2.823.846K directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J2.823.846K?
Yes, KEHONG BIO provides custom synthesis services for J2.823.846K and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.