BAS 00631037
TL;DR: BAS 00631037 (CAS 331850-22-7) is a chemical compound with molecular formula C15H16F3N3O4 and molecular weight 359.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone
Also Known As: BAS 00631037, BIM-0006759.P001, [3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone, 3-(tert-butyl)-5-hydroxy-5-(trifluoromethyl)(2-pyrazolinyl) 4-nitrophenyl keto ne, 5-TERT-BUTYL-2-(4-NITROBENZOYL)-3-(TRIFLUOROMETHYL)-4H-PYRAZOL-3-OL
| Molecular Formula | C15H16F3N3O4 |
|---|---|
| Molecular Weight | 359.11 g/mol |
| LogP | 3.0937 |
| Topological Polar Surface Area | 96.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.10928 |
| Heavy Atoms | 25 |
| Complexity | 737.87384 |
Chemical Identifiers
| CAS Number | 331850-22-7 |
|---|---|
| SMILES | CC(C)(C)C1=NN(C(C1)(C(F)(F)F)O)C(=O)C2=CC=C(C=C2)[N+](=O)[O-] |
Product Overview
BAS 00631037 (CAS 331850-22-7), with molecular formula C15H16F3N3O4 and molecular weight 359.11 g/mol. IUPAC: [3-tert-butyl-5-hydroxy-5-(trifluoromethyl)-4H-pyrazol-1-yl]-(4-nitrophenyl)methanone.
Chemical Property Profile of BAS 00631037
Property Insights of BAS 00631037
The XLogP value of 3.0937 indicates that BAS 00631037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.04 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00631037. Following Lipinski's Rule of Five, BAS 00631037 has 1 hydrogen bond donor(s) and 5 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 00631037?
The CAS number of BAS 00631037 is 331850-22-7.
What is the molecular formula of BAS 00631037?
The molecular formula of BAS 00631037 is C15H16F3N3O4.
What is the molecular weight of BAS 00631037?
The molecular weight of BAS 00631037 is 359.11 g/mol.
Where can I buy BAS 00631037?
You can request a quote for BAS 00631037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00631037?
Yes, KEHONG BIO provides custom synthesis services for BAS 00631037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.