Bionet1_004858
TL;DR: Bionet1_004858 (CAS 439110-56-2) is a chemical compound with molecular formula C19H15ClF3NO3 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
Also Known As: Bionet1_004858, 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)-1,3-cyclohexanedione, 4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione, 5R-0822, 4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione
| Molecular Formula | C19H15ClF3NO3 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 4.5618 |
| Topological Polar Surface Area | 56.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.06924 |
| Heavy Atoms | 27 |
| Complexity | 880.7589 |
Chemical Identifiers
| CAS Number | 439110-56-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC(=O)CC(=O)C2C3=C(C=C(C=N3)C(F)(F)F)Cl |
Product Overview
Bionet1_004858 (CAS 439110-56-2), with molecular formula C19H15ClF3NO3 and molecular weight 397.07 g/mol. IUPAC: 4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-(4-methoxyphenyl)cyclohexane-1,3-dione.
Chemical Property Profile of Bionet1_004858
Property Insights of Bionet1_004858
The XLogP value of 4.5618 indicates that Bionet1_004858 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.26 Ų, Bionet1_004858 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bionet1_004858 has 0 hydrogen bond donor(s) and 4 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_004858?
The CAS number of Bionet1_004858 is 439110-56-2.
What is the molecular formula of Bionet1_004858?
The molecular formula of Bionet1_004858 is C19H15ClF3NO3.
What is the molecular weight of Bionet1_004858?
The molecular weight of Bionet1_004858 is 397.07 g/mol.
Where can I buy Bionet1_004858?
You can request a quote for Bionet1_004858 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004858?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004858 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.