5-25-01-00066 (Beilstein Handbook Reference)
TL;DR: 5-25-01-00066 (Beilstein Handbook Reference) (CAS 17072-86-5) is a chemical compound with molecular formula C19H22ClN3O3 and molecular weight 375.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-1-phenylethyl)-6-(2-oxo-2-piperidin-1-ylethoxy)pyridazin-3-one
Also Known As: 5-25-01-00066 (Beilstein Handbook Reference), 1-(((1-(alpha-(Chloromethyl)benzyl)-1,6-dihydro-6-oxo-3-pyridazinyl)oxy)acetyl)piperidine, Piperidine, 1-(((1-(alpha-(chloromethyl)benzyl)-1,6-dihydro-6-oxo-3-pyridazinyl)oxy)acetyl)-, 2-(2-chloro-1-phenylethyl)-6-(2-oxo-2-piperidin-1-ylethoxy)pyridazin-3-one, 2-(2-Chloro-1-phenylethyl)-6-[2-oxo-2-(piperidin-1-yl)ethoxy]pyridazin-3(2H)-one
| Molecular Formula | C19H22ClN3O3 |
|---|---|
| Molecular Weight | 375.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 62.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 375.13498 |
| Heavy Atoms | 26 |
| Complexity | 566.0 |
Chemical Identifiers
| CAS Number | 17072-86-5 |
|---|---|
| SMILES | C1CCN(CC1)C(=O)COC2=NN(C(=O)C=C2)C(CCl)C3=CC=CC=C3 |
| InChIKey | KVTJGEJLJBCIGQ-UHFFFAOYSA-N |
Product Overview
5-25-01-00066 (Beilstein Handbook Reference) (CAS 17072-86-5), with molecular formula C19H22ClN3O3 and molecular weight 375.13 g/mol. IUPAC: 2-(2-chloro-1-phenylethyl)-6-(2-oxo-2-piperidin-1-ylethoxy)pyridazin-3-one.
Chemical Property Profile of 5-25-01-00066 (Beilstein Handbook Reference)
Property Insights of 5-25-01-00066 (Beilstein Handbook Reference)
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-25-01-00066 (Beilstein Handbook Reference). The TPSA of 62.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-25-01-00066 (Beilstein Handbook Reference). Following Lipinski's Rule of Five, 5-25-01-00066 (Beilstein Handbook Reference) 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 5-25-01-00066 (Beilstein Handbook Reference)?
The CAS number of 5-25-01-00066 (Beilstein Handbook Reference) is 17072-86-5.
What is the molecular formula of 5-25-01-00066 (Beilstein Handbook Reference)?
The molecular formula of 5-25-01-00066 (Beilstein Handbook Reference) is C19H22ClN3O3.
What is the molecular weight of 5-25-01-00066 (Beilstein Handbook Reference)?
The molecular weight of 5-25-01-00066 (Beilstein Handbook Reference) is 375.13 g/mol.
Where can I buy 5-25-01-00066 (Beilstein Handbook Reference)?
You can request a quote for 5-25-01-00066 (Beilstein Handbook Reference) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-25-01-00066 (Beilstein Handbook Reference)?
Yes, KEHONG BIO provides custom synthesis services for 5-25-01-00066 (Beilstein Handbook Reference) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.