11B-012
TL;DR: 11B-012 (CAS 477850-68-3) is a chemical compound with molecular formula C14H14F3N3O2 and molecular weight 313.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(methoxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1,2-dihydropyrazol-3-one
Also Known As: 11B-012, 5-(methoxymethyl)-4-({[3-(trifluoromethyl)benzyl]amino}methylene)-2,4-dihydro-3H-pyrazol-3-one, 5-(methoxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1,2-dihydropyrazol-3-one, 3-(methoxymethyl)-4-[({[3-(trifluoromethyl)phenyl]methyl}amino)methylidene]-4,5-dihydro-1H-pyrazol-5-one, 3-(methoxymethyl)-4-[[[3-(trifluoromethyl)phenyl]methylamino]methylidene]-1H-pyrazol-5-one
| Molecular Formula | C14H14F3N3O2 |
|---|---|
| Molecular Weight | 313.10 g/mol |
| LogP | 2.4873 |
| Topological Polar Surface Area | 70.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.10382 |
| Heavy Atoms | 22 |
| Complexity | 716.6085 |
Chemical Identifiers
| CAS Number | 477850-68-3 |
|---|---|
| SMILES | COCC1=C(C(=O)NN1)C=NCC2=CC(=CC=C2)C(F)(F)F |
Product Overview
11B-012 (CAS 477850-68-3), with molecular formula C14H14F3N3O2 and molecular weight 313.10 g/mol. IUPAC: 5-(methoxymethyl)-4-[[3-(trifluoromethyl)phenyl]methyliminomethyl]-1,2-dihydropyrazol-3-one.
Chemical Property Profile of 11B-012
Property Insights of 11B-012
The XLogP value of 2.4873 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11B-012. The TPSA of 70.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 11B-012. Following Lipinski's Rule of Five, 11B-012 has 2 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 11B-012?
The CAS number of 11B-012 is 477850-68-3.
What is the molecular formula of 11B-012?
The molecular formula of 11B-012 is C14H14F3N3O2.
What is the molecular weight of 11B-012?
The molecular weight of 11B-012 is 313.10 g/mol.
Where can I buy 11B-012?
You can request a quote for 11B-012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 11B-012?
Yes, KEHONG BIO provides custom synthesis services for 11B-012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.