2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one
TL;DR: 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one (CAS 41219-16-3) is a chemical compound with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-chloro-5-methoxypyridazin-3-one
Also Known As: Hexahydrohippurate, 2-benzyl-4-chloro-5-methoxypyridazin-3(2h)-one, 2-benzyl-4-chloro-5-methoxypyridazin-3-one, 2-benzyl-4-chloro-5-methoxy-3(2h)-pyridazinone, SDCCGMLS-0066206.P001
| Molecular Formula | C12H11ClN2O2 |
|---|---|
| Molecular Weight | 250.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.0509 |
| Heavy Atoms | 17 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 41219-16-3 |
|---|---|
| SMILES | COC1=C(C(=O)N(N=C1)CC2=CC=CC=C2)Cl |
| InChIKey | KVZQNLPOHROISY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one (CAS 41219-16-3), with molecular formula C12H11ClN2O2 and molecular weight 250.05 g/mol. IUPAC: 2-benzyl-4-chloro-5-methoxypyridazin-3-one.
Chemical Property Profile of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one
Property Insights of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one. With a topological polar surface area (TPSA) of 41.9 Ų, 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one 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 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one?
The CAS number of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one is 41219-16-3.
What is the molecular formula of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one?
The molecular formula of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one is C12H11ClN2O2.
What is the molecular weight of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one?
The molecular weight of 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one is 250.05 g/mol.
Where can I buy 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one?
You can request a quote for 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-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-chloro-5-methoxypyridazin-3(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-chloro-5-methoxypyridazin-3(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.