BAS 01004828
TL;DR: BAS 01004828 (CAS 333771-00-9) is a chemical compound with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone
Also Known As: BAS 01004828, [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone, 1-(3-methoxybenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, (5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl)(3-methoxyphenyl)methanone, [5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](3-methoxyphenyl)methanone
| Molecular Formula | C15H17F3N2O3 |
|---|---|
| Molecular Weight | 330.12 g/mol |
| LogP | 2.9481 |
| Topological Polar Surface Area | 62.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.11914 |
| Heavy Atoms | 23 |
| Complexity | 630.63824 |
Chemical Identifiers
| CAS Number | 333771-00-9 |
|---|---|
| SMILES | CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC(=CC=C2)OC |
Product Overview
BAS 01004828 (CAS 333771-00-9), with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol. IUPAC: [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(3-methoxyphenyl)methanone.
Chemical Property Profile of BAS 01004828
Property Insights of BAS 01004828
The XLogP value of 2.9481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01004828. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01004828. Following Lipinski's Rule of Five, BAS 01004828 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 01004828?
The CAS number of BAS 01004828 is 333771-00-9.
What is the molecular formula of BAS 01004828?
The molecular formula of BAS 01004828 is C15H17F3N2O3.
What is the molecular weight of BAS 01004828?
The molecular weight of BAS 01004828 is 330.12 g/mol.
Where can I buy BAS 01004828?
You can request a quote for BAS 01004828 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01004828?
Yes, KEHONG BIO provides custom synthesis services for BAS 01004828 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.