BAS 01004829
TL;DR: BAS 01004829 (CAS 333771-01-0) is a chemical compound with molecular formula C15H17F3N2O2 and molecular weight 314.12 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]-(4-methylphenyl)methanone
Also Known As: BAS 01004829, 1-(4-methylbenzoyl)-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-ol, [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone
| Molecular Formula | C15H17F3N2O2 |
|---|---|
| Molecular Weight | 314.12 g/mol |
| LogP | 3.24792 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 314.1242 |
| Heavy Atoms | 22 |
| Complexity | 595.8003 |
Chemical Identifiers
| CAS Number | 333771-01-0 |
|---|---|
| SMILES | CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)C |
Product Overview
BAS 01004829 (CAS 333771-01-0), with molecular formula C15H17F3N2O2 and molecular weight 314.12 g/mol. IUPAC: [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-methylphenyl)methanone.
Chemical Property Profile of BAS 01004829
Property Insights of BAS 01004829
The XLogP value of 3.24792 indicates that BAS 01004829 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.9 Ų, BAS 01004829 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 01004829 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 BAS 01004829?
The CAS number of BAS 01004829 is 333771-01-0.
What is the molecular formula of BAS 01004829?
The molecular formula of BAS 01004829 is C15H17F3N2O2.
What is the molecular weight of BAS 01004829?
The molecular weight of BAS 01004829 is 314.12 g/mol.
Where can I buy BAS 01004829?
You can request a quote for BAS 01004829 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01004829?
Yes, KEHONG BIO provides custom synthesis services for BAS 01004829 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.