3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile
TL;DR: 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile (CAS 2496-70-0) is a chemical compound with molecular formula C7H5Cl2N3O and molecular weight 216.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dichloro-6-oxopyridazin-1-yl)propanenitrile
Also Known As: J1.412.840I, 3-(4,5-dichloro-6-oxopyridazin-1-yl)propanenitrile, 3-(4,5-DICHLORO-6-OXOPYRIDAZIN-1(6H)-YL)PROPANENITRILE, 3-(4,5-Dichloro-6-oxo-1(6H)-pyridazinyl)propanenitrile #, 4,5-Dichloro-2,3-dihydro-3-oxopyridazine-2-propanenitrile
| Molecular Formula | C7H5Cl2N3O |
|---|---|
| Molecular Weight | 216.98 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.98097 |
| Heavy Atoms | 13 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 2496-70-0 |
|---|---|
| SMILES | C1=NN(C(=O)C(=C1Cl)Cl)CCC#N |
| InChIKey | DNHNKXMDLJRGHR-UHFFFAOYSA-N |
Product Overview
3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile (CAS 2496-70-0), with molecular formula C7H5Cl2N3O and molecular weight 216.98 g/mol. IUPAC: 3-(4,5-dichloro-6-oxopyridazin-1-yl)propanenitrile.
Chemical Property Profile of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile
Property Insights of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile 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 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile?
The CAS number of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile is 2496-70-0.
What is the molecular formula of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile?
The molecular formula of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile is C7H5Cl2N3O.
What is the molecular weight of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile?
The molecular weight of 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile is 216.98 g/mol.
Where can I buy 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile?
You can request a quote for 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-Dichloro-6-oxopyridazin-1(6H)-YL)propanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.