Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-
TL;DR: Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- (CAS 405277-80-7) is a chemical compound with molecular formula C14H16Cl2N2O and molecular weight 298.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-adamantyl)-4,5-dichloropyridazin-3-one
Also Known As: ChemDiv3_008809, IDI1_026719, 2-(1-adamantyl)-4,5-dichloropyridazin-3-one, Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-, 2-(1-adamantyl)-4,5-dichloropyridazin-3(2H)-one
| Molecular Formula | C14H16Cl2N2O |
|---|---|
| Molecular Weight | 298.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 298.06396 |
| Heavy Atoms | 19 |
| Complexity | 470.0 |
Chemical Identifiers
| CAS Number | 405277-80-7 |
|---|---|
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C(=O)C(=C(C=N4)Cl)Cl |
| InChIKey | YQXPNXFPFBBPAM-UHFFFAOYSA-N |
Product Overview
Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- (CAS 405277-80-7), with molecular formula C14H16Cl2N2O and molecular weight 298.06 g/mol. IUPAC: 2-(1-adamantyl)-4,5-dichloropyridazin-3-one.
Chemical Property Profile of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-
Property Insights of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-
The XLogP value of 3.8 indicates that Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- has 0 hydrogen bond donor(s) and 2 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 Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-?
The CAS number of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- is 405277-80-7.
What is the molecular formula of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-?
The molecular formula of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- is C14H16Cl2N2O.
What is the molecular weight of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-?
The molecular weight of Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- is 298.06 g/mol.
Where can I buy Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-?
You can request a quote for Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridazin-3(2H)-one, 4,5-dichloro-2-(1-adamantyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.