3C-141
TL;DR: 3C-141 (CAS 338403-24-0) is a chemical compound with molecular formula C18H10ClF6N3O2 and molecular weight 449.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)iminomethyl]-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: 3C-141, 4-[(4-chloroanilino)methylene]-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one, (4E)-4-{[(4-chlorophenyl)amino]methylidene}-1-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-one, 4-[(4-chlorophenyl)iminomethyl]-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-one, (4E)-4-[(4-chloroanilino)methylidene]-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)pyrazol-3-one
| Molecular Formula | C18H10ClF6N3O2 |
|---|---|
| Molecular Weight | 449.04 g/mol |
| LogP | 5.487 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 449.03656 |
| Heavy Atoms | 30 |
| Complexity | 1113.2991 |
Chemical Identifiers
| CAS Number | 338403-24-0 |
|---|---|
| SMILES | C1=CC(=CC=C1N=CC2=C(NN(C2=O)C3=CC=C(C=C3)OC(F)(F)F)C(F)(F)F)Cl |
Product Overview
3C-141 (CAS 338403-24-0), with molecular formula C18H10ClF6N3O2 and molecular weight 449.04 g/mol. IUPAC: 4-[(4-chlorophenyl)iminomethyl]-2-[4-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of 3C-141
Property Insights of 3C-141
The XLogP value of 5.487 indicates that 3C-141 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, 3C-141 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3C-141 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3C-141?
The CAS number of 3C-141 is 338403-24-0.
What is the molecular formula of 3C-141?
The molecular formula of 3C-141 is C18H10ClF6N3O2.
What is the molecular weight of 3C-141?
The molecular weight of 3C-141 is 449.04 g/mol.
Where can I buy 3C-141?
You can request a quote for 3C-141 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3C-141?
Yes, KEHONG BIO provides custom synthesis services for 3C-141 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.