2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
TL;DR: 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one (CAS 42352-97-6) is a chemical compound with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4,5-dichloropyridazin-3-one
Also Known As: 2-benzyl-4,5-dichloropyridazin-3(2h)-one, EcDsbB-IN-9, 2-benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one, 2-benzyl-4,5-dichloropyridazin-3-one, 4,5-Dichloro-2-benzylpyridazin-3(2H)-one
| Molecular Formula | C11H8Cl2N2O |
|---|---|
| Molecular Weight | 254.00 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.00137 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 42352-97-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)CN2C(=O)C(=C(C=N2)Cl)Cl |
| InChIKey | AJHBQZQCDCTOFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one (CAS 42352-97-6), with molecular formula C11H8Cl2N2O and molecular weight 254.00 g/mol. IUPAC: 2-benzyl-4,5-dichloropyridazin-3-one.
Chemical Property Profile of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
Property Insights of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one. With a topological polar surface area (TPSA) of 32.7 Ų, 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one 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 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one?
The CAS number of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one is 42352-97-6.
What is the molecular formula of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one?
The molecular formula of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one is C11H8Cl2N2O.
What is the molecular weight of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one?
The molecular weight of 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one is 254.00 g/mol.
Where can I buy 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one?
You can request a quote for 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4,5-dichloro-2,3-dihydropyridazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.