Bionet1_000139
TL;DR: Bionet1_000139 (CAS 314747-18-7) is a chemical compound with molecular formula C17H11ClF3N3O and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)iminomethyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one
Also Known As: Bionet1_000139, DivK1c_002155, CDS1_001115, 11B-146, 4-[(4-chloroanilino)methylene]-2-phenyl-5-(trifluoromethyl)-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C17H11ClF3N3O |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 4.5884 |
| Topological Polar Surface Area | 50.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.05426 |
| Heavy Atoms | 25 |
| Complexity | 957.5434 |
Chemical Identifiers
| CAS Number | 314747-18-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C(=C(N2)C(F)(F)F)C=NC3=CC=C(C=C3)Cl |
Product Overview
Bionet1_000139 (CAS 314747-18-7), with molecular formula C17H11ClF3N3O and molecular weight 365.05 g/mol. IUPAC: 4-[(4-chlorophenyl)iminomethyl]-2-phenyl-5-(trifluoromethyl)-1H-pyrazol-3-one.
Chemical Property Profile of Bionet1_000139
Property Insights of Bionet1_000139
The XLogP value of 4.5884 indicates that Bionet1_000139 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.15 Ų, Bionet1_000139 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_000139 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 Bionet1_000139?
The CAS number of Bionet1_000139 is 314747-18-7.
What is the molecular formula of Bionet1_000139?
The molecular formula of Bionet1_000139 is C17H11ClF3N3O.
What is the molecular weight of Bionet1_000139?
The molecular weight of Bionet1_000139 is 365.05 g/mol.
Where can I buy Bionet1_000139?
You can request a quote for Bionet1_000139 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000139?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000139 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.