BIM-0043111.P001
TL;DR: BIM-0043111.P001 (CAS 6052-52-4) is a chemical compound with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one
Also Known As: BIM-0043111.P001, 5-methyl-4-(2-thienylmethylene)-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one, (4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one, (4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]-2,4-dihydro-3H-pyrazol-3-one, 3-methyl-4-(2-thienylmethylene)-1-[3-(trifluoromethyl)phenyl]-1,2-diazolin-5-o ne
| Molecular Formula | C16H11F3N2OS |
|---|---|
| Molecular Weight | 336.05 g/mol |
| LogP | 4.573 |
| Topological Polar Surface Area | 32.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 336.0544 |
| Heavy Atoms | 23 |
| Complexity | 806.9829 |
Chemical Identifiers
| CAS Number | 6052-52-4 |
|---|---|
| SMILES | CC\1=NN(C(=O)/C1=C/C2=CC=CS2)C3=CC=CC(=C3)C(F)(F)F |
Product Overview
BIM-0043111.P001 (CAS 6052-52-4), with molecular formula C16H11F3N2OS and molecular weight 336.05 g/mol. IUPAC: (4E)-5-methyl-4-(thiophen-2-ylmethylidene)-2-[3-(trifluoromethyl)phenyl]pyrazol-3-one.
Chemical Property Profile of BIM-0043111.P001
Property Insights of BIM-0043111.P001
The XLogP value of 4.573 indicates that BIM-0043111.P001 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.67 Ų, BIM-0043111.P001 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BIM-0043111.P001 has 0 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 BIM-0043111.P001?
The CAS number of BIM-0043111.P001 is 6052-52-4.
What is the molecular formula of BIM-0043111.P001?
The molecular formula of BIM-0043111.P001 is C16H11F3N2OS.
What is the molecular weight of BIM-0043111.P001?
The molecular weight of BIM-0043111.P001 is 336.05 g/mol.
Where can I buy BIM-0043111.P001?
You can request a quote for BIM-0043111.P001 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BIM-0043111.P001?
Yes, KEHONG BIO provides custom synthesis services for BIM-0043111.P001 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.