Bionet1_000306
TL;DR: Bionet1_000306 (CAS 339024-96-3) is a chemical compound with molecular formula C15H11F3N2O5 and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[3-nitro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate
Also Known As: Bionet1_000306, DivK1c_002322, methyl 4-{[3-nitro-2-oxo-5-(trifluoromethyl)-1(2H)-pyridinyl]methyl}benzenecarboxylate, CDS1_001282, methyl 4-[[3-nitro-2-oxo-5-(trifluoromethyl)pyridin-1-yl]methyl]benzoate
| Molecular Formula | C15H11F3N2O5 |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 2.6102 |
| Topological Polar Surface Area | 91.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 356.062 |
| Heavy Atoms | 25 |
| Complexity | 872.21606 |
Chemical Identifiers
| CAS Number | 339024-96-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CN2C=C(C=C(C2=O)[N+](=O)[O-])C(F)(F)F |
Product Overview
Bionet1_000306 (CAS 339024-96-3), with molecular formula C15H11F3N2O5 and molecular weight 356.06 g/mol. IUPAC: methyl 4-[[3-nitro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]methyl]benzoate.
Chemical Property Profile of Bionet1_000306
Property Insights of Bionet1_000306
The XLogP value of 2.6102 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_000306. The TPSA of 91.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000306. Following Lipinski's Rule of Five, Bionet1_000306 has 0 hydrogen bond donor(s) and 5 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_000306?
The CAS number of Bionet1_000306 is 339024-96-3.
What is the molecular formula of Bionet1_000306?
The molecular formula of Bionet1_000306 is C15H11F3N2O5.
What is the molecular weight of Bionet1_000306?
The molecular weight of Bionet1_000306 is 356.06 g/mol.
Where can I buy Bionet1_000306?
You can request a quote for Bionet1_000306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000306?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.