![4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile structure](/static/products/3383/338395-67-8.webp)
4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile
TL;DR: 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile (CAS 338395-67-8) is a chemical compound with molecular formula C12H5ClF3N3O and molecular weight 299.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonitrile
Also Known As: 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile, 2F-038, 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonitrile, 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydropyridazine-3-carbonitrile
| Molecular Formula | C12H5ClF3N3O |
|---|---|
| Molecular Weight | 299.01 g/mol |
| LogP | 2.77638 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 299.00732 |
| Heavy Atoms | 20 |
| Complexity | 761.7636 |
Chemical Identifiers
| CAS Number | 338395-67-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C(=O)C=C(C(=N2)C#N)Cl)C(F)(F)F |
Product Overview
4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile (CAS 338395-67-8), with molecular formula C12H5ClF3N3O and molecular weight 299.01 g/mol. IUPAC: 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridazine-3-carbonitrile.
Chemical Property Profile of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile
Property Insights of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile
The XLogP value of 2.77638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile has 0 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 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile?
The CAS number of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile is 338395-67-8.
What is the molecular formula of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile?
The molecular formula of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile is C12H5ClF3N3O.
What is the molecular weight of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile?
The molecular weight of 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile is 299.01 g/mol.
Where can I buy 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile?
You can request a quote for 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-6-oxo-1-[3-(trifluoromethyl)phenyl]-1,6-dihydro-3-pyridazinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.