1C-057
TL;DR: 1C-057 (CAS 4696-66-6) is a chemical compound with molecular formula C18H14F3N3O and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-2-phenyl-4-[[2-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one
Also Known As: 1C-057, (4Z)-5-methyl-2-phenyl-4-({[2-(trifluoromethyl)phenyl]amino}methylidene)-2,4-dihydro-3H-pyrazol-3-one, 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one, 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)anilino]methylidene]pyrazol-3-one, (4Z)-5-methyl-2-phenyl-4-[[2-(trifluoromethyl)anilino]methylidene]pyrazol-3-one
| Molecular Formula | C18H14F3N3O |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 4.24342 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.1089 |
| Heavy Atoms | 25 |
| Complexity | 969.2216 |
Chemical Identifiers
| CAS Number | 4696-66-6 |
|---|---|
| SMILES | CC1=C(C(=O)N(N1)C2=CC=CC=C2)C=NC3=CC=CC=C3C(F)(F)F |
Product Overview
1C-057 (CAS 4696-66-6), with molecular formula C18H14F3N3O and molecular weight 345.11 g/mol. IUPAC: 5-methyl-2-phenyl-4-[[2-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one.
Chemical Property Profile of 1C-057
Property Insights of 1C-057
The XLogP value of 4.24342 indicates that 1C-057 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, 1C-057 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1C-057 has 1 hydrogen bond donor(s) and 2 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 1C-057?
The CAS number of 1C-057 is 4696-66-6.
What is the molecular formula of 1C-057?
The molecular formula of 1C-057 is C18H14F3N3O.
What is the molecular weight of 1C-057?
The molecular weight of 1C-057 is 345.11 g/mol.
Where can I buy 1C-057?
You can request a quote for 1C-057 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1C-057?
Yes, KEHONG BIO provides custom synthesis services for 1C-057 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.