5C-091
TL;DR: 5C-091 (CAS 338751-18-1) is a chemical compound with molecular formula C19H15ClF3N3O2 and molecular weight 409.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)-5-ethoxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one
Also Known As: 5C-091, 2-(4-chlorophenyl)-5-ethoxy-4-{[3-(trifluoromethyl)anilino]methylene}-2,4-dihydro-3H-pyrazol-3-one, 2-(4-chlorophenyl)-5-ethoxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one, (4Z)-1-(4-chlorophenyl)-3-ethoxy-4-({[3-(trifluoromethyl)phenyl]amino}methylidene)-4,5-dihydro-1H-pyrazol-5-one, (4Z)-2-(4-chlorophenyl)-5-ethoxy-4-[[3-(trifluoromethyl)anilino]methylidene]pyrazol-3-one
| Molecular Formula | C19H15ClF3N3O2 |
|---|---|
| Molecular Weight | 409.08 g/mol |
| LogP | 4.9871 |
| Topological Polar Surface Area | 59.38 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.08047 |
| Heavy Atoms | 28 |
| Complexity | 1053.5212 |
Chemical Identifiers
| CAS Number | 338751-18-1 |
|---|---|
| SMILES | CCOC1=C(C(=O)N(N1)C2=CC=C(C=C2)Cl)C=NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
5C-091 (CAS 338751-18-1), with molecular formula C19H15ClF3N3O2 and molecular weight 409.08 g/mol. IUPAC: 2-(4-chlorophenyl)-5-ethoxy-4-[[3-(trifluoromethyl)phenyl]iminomethyl]-1H-pyrazol-3-one.
Chemical Property Profile of 5C-091
Property Insights of 5C-091
The XLogP value of 4.9871 indicates that 5C-091 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.38 Ų, 5C-091 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5C-091 has 1 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 5C-091?
The CAS number of 5C-091 is 338751-18-1.
What is the molecular formula of 5C-091?
The molecular formula of 5C-091 is C19H15ClF3N3O2.
What is the molecular weight of 5C-091?
The molecular weight of 5C-091 is 409.08 g/mol.
Where can I buy 5C-091?
You can request a quote for 5C-091 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5C-091?
Yes, KEHONG BIO provides custom synthesis services for 5C-091 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.