JU6MSZ5XA8
TL;DR: JU6MSZ5XA8 (CAS 75643-56-0) is a chemical compound with molecular formula C19H13F2N3O2 and molecular weight 353.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile
Also Known As: 4-Pyridazinecarbonitrile, 5,6-bis(4-fluorophenyl)-2,3-dihydro-2-(2-hydroxyethyl)-3-oxo-, 3-Deoxy-D-arabino-hexonic Acid Calcium Salt, NCI60_003312, 5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile, 5,6-Bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxo-2,3-dihydro-4-pyridazinecarbonitrile
| Molecular Formula | C19H13F2N3O2 |
|---|---|
| Molecular Weight | 353.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 76.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.0976 |
| Heavy Atoms | 26 |
| Complexity | 651.0 |
Chemical Identifiers
| CAS Number | 75643-56-0 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=C(C(=O)N(N=C2C3=CC=C(C=C3)F)CCO)C#N)F |
| InChIKey | ZTJLBJCCZJQZSD-UHFFFAOYSA-N |
Product Overview
JU6MSZ5XA8 (CAS 75643-56-0), with molecular formula C19H13F2N3O2 and molecular weight 353.10 g/mol. IUPAC: 5,6-bis(4-fluorophenyl)-2-(2-hydroxyethyl)-3-oxopyridazine-4-carbonitrile.
Chemical Property Profile of JU6MSZ5XA8
Property Insights of JU6MSZ5XA8
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for JU6MSZ5XA8. The TPSA of 76.7 Ų falls within the moderate polarity range, balancing permeability and solubility for JU6MSZ5XA8. Following Lipinski's Rule of Five, JU6MSZ5XA8 has 1 hydrogen bond donor(s) and 6 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 JU6MSZ5XA8?
The CAS number of JU6MSZ5XA8 is 75643-56-0.
What is the molecular formula of JU6MSZ5XA8?
The molecular formula of JU6MSZ5XA8 is C19H13F2N3O2.
What is the molecular weight of JU6MSZ5XA8?
The molecular weight of JU6MSZ5XA8 is 353.10 g/mol.
Where can I buy JU6MSZ5XA8?
You can request a quote for JU6MSZ5XA8 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for JU6MSZ5XA8?
Yes, KEHONG BIO provides custom synthesis services for JU6MSZ5XA8 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.