3C-142
TL;DR: 3C-142 (CAS 338403-26-2) is a chemical compound with molecular formula C20H13F6N3O4 and molecular weight 473.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-oxo-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylideneamino]benzoate
Also Known As: 3C-142, methyl 4-({[5-oxo-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1,5-dihydro-4H-pyrazol-4-yliden]methyl}amino)benzenecarboxylate, methyl 4-({[(4E)-5-oxo-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-4-ylidene]methyl}amino)benzoate, methyl 4-[[3-oxo-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylideneamino]benzoate, methyl 4-[[(E)-[5-oxo-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazol-4-ylidene]methyl]amino]benzoate
| Molecular Formula | C20H13F6N3O4 |
|---|---|
| Molecular Weight | 473.08 g/mol |
| LogP | 4.6202 |
| Topological Polar Surface Area | 85.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 473.08102 |
| Heavy Atoms | 33 |
| Complexity | 1223.1616 |
Chemical Identifiers
| CAS Number | 338403-26-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N=CC2=C(NN(C2=O)C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F |
Product Overview
3C-142 (CAS 338403-26-2), with molecular formula C20H13F6N3O4 and molecular weight 473.08 g/mol. IUPAC: methyl 4-[[3-oxo-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-4-yl]methylideneamino]benzoate.
Chemical Property Profile of 3C-142
Property Insights of 3C-142
The XLogP value of 4.6202 indicates that 3C-142 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3C-142. Following Lipinski's Rule of Five, 3C-142 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 3C-142?
The CAS number of 3C-142 is 338403-26-2.
What is the molecular formula of 3C-142?
The molecular formula of 3C-142 is C20H13F6N3O4.
What is the molecular weight of 3C-142?
The molecular weight of 3C-142 is 473.08 g/mol.
Where can I buy 3C-142?
You can request a quote for 3C-142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3C-142?
Yes, KEHONG BIO provides custom synthesis services for 3C-142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.