Bionet1_000066
TL;DR: Bionet1_000066 (CAS 439107-91-2) is a chemical compound with molecular formula C13H7Cl2F3N2O3 and molecular weight 365.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate
Also Known As: Bionet1_000066, MixCom2_000251, [4,5-dichloro-6-oxo-1(6H)-pyridazinyl]methyl 4-(trifluoromethyl)benzenecarboxylate, (4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate, (4,5-dichloro-6-oxo-1,6-dihydropyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate
| Molecular Formula | C13H7Cl2F3N2O3 |
|---|---|
| Molecular Weight | 365.98 g/mol |
| LogP | 3.3834 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.97858 |
| Heavy Atoms | 23 |
| Complexity | 788.5322 |
Chemical Identifiers
| CAS Number | 439107-91-2 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)OCN2C(=O)C(=C(C=N2)Cl)Cl)C(F)(F)F |
Product Overview
Bionet1_000066 (CAS 439107-91-2), with molecular formula C13H7Cl2F3N2O3 and molecular weight 365.98 g/mol. IUPAC: (4,5-dichloro-6-oxopyridazin-1-yl)methyl 4-(trifluoromethyl)benzoate.
Chemical Property Profile of Bionet1_000066
Property Insights of Bionet1_000066
The XLogP value of 3.3834 indicates that Bionet1_000066 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_000066. Following Lipinski's Rule of Five, Bionet1_000066 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_000066?
The CAS number of Bionet1_000066 is 439107-91-2.
What is the molecular formula of Bionet1_000066?
The molecular formula of Bionet1_000066 is C13H7Cl2F3N2O3.
What is the molecular weight of Bionet1_000066?
The molecular weight of Bionet1_000066 is 365.98 g/mol.
Where can I buy Bionet1_000066?
You can request a quote for Bionet1_000066 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_000066?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_000066 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.