BAS 04328043
TL;DR: BAS 04328043 (CAS 330830-79-0) is a chemical compound with molecular formula C13H21F3N2O3 and molecular weight 310.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate
Also Known As: BAS 04328043, tert-butyl 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate, tert-butyl 5-hydroxy-3-isobutyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate, tert-butyl 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazole-1-carboxylate
| Molecular Formula | C13H21F3N2O3 |
|---|---|
| Molecular Weight | 310.15 g/mol |
| LogP | 3.2802 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.15042 |
| Heavy Atoms | 21 |
| Complexity | 440.92288 |
Chemical Identifiers
| CAS Number | 330830-79-0 |
|---|---|
| SMILES | CC(C)CC1=NN(C(C1)(C(F)(F)F)O)C(=O)OC(C)(C)C |
Product Overview
BAS 04328043 (CAS 330830-79-0), with molecular formula C13H21F3N2O3 and molecular weight 310.15 g/mol. IUPAC: tert-butyl 5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazole-1-carboxylate.
Chemical Property Profile of BAS 04328043
Property Insights of BAS 04328043
The XLogP value of 3.2802 indicates that BAS 04328043 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 04328043. Following Lipinski's Rule of Five, BAS 04328043 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 04328043?
The CAS number of BAS 04328043 is 330830-79-0.
What is the molecular formula of BAS 04328043?
The molecular formula of BAS 04328043 is C13H21F3N2O3.
What is the molecular weight of BAS 04328043?
The molecular weight of BAS 04328043 is 310.15 g/mol.
Where can I buy BAS 04328043?
You can request a quote for BAS 04328043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 04328043?
Yes, KEHONG BIO provides custom synthesis services for BAS 04328043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.