3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile
TL;DR: 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile (CAS 17285-17-5) is a chemical compound with molecular formula C7H6ClN3O and molecular weight 183.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-chloro-6-oxopyridazin-1-yl)propanenitrile
Also Known As: 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile, J1.415.516C, 3-(3-chloro-6-oxopyridazin-1-yl)propanenitrile, 2-(2-Cyanoethyl)-6-chloropyridazine-3(2H)-one, 6-Chloro-2-(2-cyanoethyl)-2,3-dihydro-3-oxopyridazine
| Molecular Formula | C7H6ClN3O |
|---|---|
| Molecular Weight | 183.02 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 56.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.01994 |
| Heavy Atoms | 12 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 17285-17-5 |
|---|---|
| SMILES | C1=CC(=O)N(N=C1Cl)CCC#N |
| InChIKey | FDZLIRSMDLGRER-UHFFFAOYSA-N |
Product Overview
3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile (CAS 17285-17-5), with molecular formula C7H6ClN3O and molecular weight 183.02 g/mol. IUPAC: 3-(3-chloro-6-oxopyridazin-1-yl)propanenitrile.
Chemical Property Profile of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile
Property Insights of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile. With a topological polar surface area (TPSA) of 56.5 Ų, 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile 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-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile?
The CAS number of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile is 17285-17-5.
What is the molecular formula of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile?
The molecular formula of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile is C7H6ClN3O.
What is the molecular weight of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile?
The molecular weight of 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile is 183.02 g/mol.
Where can I buy 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile?
You can request a quote for 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-6-oxo-1(6H)-pyridazinepropanenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.