BAS 01002413
TL;DR: BAS 01002413 (CAS 333770-52-8) 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]-(2-methoxyphenyl)methanone
Also Known As: BAS 01002413, [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methoxyphenyl)methanone, 1-(2-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)(2-methoxyphenyl)methanone, [5-hydroxy-3-propyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-1-yl](2-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 | 333770-52-8 |
|---|---|
| SMILES | CCCC1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=CC=C2OC |
Product Overview
BAS 01002413 (CAS 333770-52-8), with molecular formula C15H17F3N2O3 and molecular weight 330.12 g/mol. IUPAC: [5-hydroxy-3-propyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(2-methoxyphenyl)methanone.
Chemical Property Profile of BAS 01002413
Property Insights of BAS 01002413
The XLogP value of 2.9481 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 01002413. The TPSA of 62.13 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 01002413. Following Lipinski's Rule of Five, BAS 01002413 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 01002413?
The CAS number of BAS 01002413 is 333770-52-8.
What is the molecular formula of BAS 01002413?
The molecular formula of BAS 01002413 is C15H17F3N2O3.
What is the molecular weight of BAS 01002413?
The molecular weight of BAS 01002413 is 330.12 g/mol.
Where can I buy BAS 01002413?
You can request a quote for BAS 01002413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 01002413?
Yes, KEHONG BIO provides custom synthesis services for BAS 01002413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.