BAS 05291512
TL;DR: BAS 05291512 (CAS 444058-84-8) is a chemical compound with molecular formula C12H11F3N2O3 and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Also Known As: BAS 05291512, J2.823.843F, methyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate, methyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-2-pyrazolinecarboxylate, methyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
| Molecular Formula | C12H11F3N2O3 |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 2.1137 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.07217 |
| Heavy Atoms | 20 |
| Complexity | 544.6286 |
Chemical Identifiers
| CAS Number | 444058-84-8 |
|---|---|
| SMILES | COC(=O)N1C(CC(=N1)C2=CC=CC=C2)(C(F)(F)F)O |
Product Overview
BAS 05291512 (CAS 444058-84-8), with molecular formula C12H11F3N2O3 and molecular weight 288.07 g/mol. IUPAC: methyl 5-hydroxy-3-phenyl-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate.
Chemical Property Profile of BAS 05291512
Property Insights of BAS 05291512
The XLogP value of 2.1137 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 05291512. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 05291512. Following Lipinski's Rule of Five, BAS 05291512 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 BAS 05291512?
The CAS number of BAS 05291512 is 444058-84-8.
What is the molecular formula of BAS 05291512?
The molecular formula of BAS 05291512 is C12H11F3N2O3.
What is the molecular weight of BAS 05291512?
The molecular weight of BAS 05291512 is 288.07 g/mol.
Where can I buy BAS 05291512?
You can request a quote for BAS 05291512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 05291512?
Yes, KEHONG BIO provides custom synthesis services for BAS 05291512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.