11B-133
TL;DR: 11B-133 (CAS 69586-72-7) is a chemical compound with molecular formula C13H12F3N3O and molecular weight 283.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4Z)-4-(dimethylaminomethylidene)-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
Also Known As: 11B-133, 4-[(dimethylamino)methylene]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4Z)-4-(dimethylaminomethylidene)-2-phenyl-5-(trifluoromethyl)pyrazol-3-one, (4Z)-4-[(dimethylamino)methylidene]-1-phenyl-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one
| Molecular Formula | C13H12F3N3O |
|---|---|
| Molecular Weight | 283.09 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 35.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 283.09326 |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 69586-72-7 |
|---|---|
| SMILES | CN(C)/C=C\1/C(=NN(C1=O)C2=CC=CC=C2)C(F)(F)F |
| InChIKey | ZKBSLPLEAZYVLF-NTMALXAHSA-N |
Product Overview
11B-133 (CAS 69586-72-7), with molecular formula C13H12F3N3O and molecular weight 283.09 g/mol. IUPAC: (4Z)-4-(dimethylaminomethylidene)-2-phenyl-5-(trifluoromethyl)pyrazol-3-one.
Chemical Property Profile of 11B-133
Property Insights of 11B-133
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11B-133. With a topological polar surface area (TPSA) of 35.9 Ų, 11B-133 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 11B-133 has 0 hydrogen bond donor(s) and 6 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 11B-133?
The CAS number of 11B-133 is 69586-72-7.
What is the molecular formula of 11B-133?
The molecular formula of 11B-133 is C13H12F3N3O.
What is the molecular weight of 11B-133?
The molecular weight of 11B-133 is 283.09 g/mol.
Where can I buy 11B-133?
You can request a quote for 11B-133 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11B-133?
Yes, KEHONG BIO provides custom synthesis services for 11B-133 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.