哒螨灵
TL;DR: 哒螨灵 (CAS 96489-71-3) is a chemical compound with molecular formula C19H25ClN2OS and molecular weight 364.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
哒螨灵
2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one
Also Known As: Pyridaben, Sanmite, Pyramite, Damanlin, Pyridaben [ISO]
| Molecular Formula | C19H25ClN2OS |
|---|---|
| Molecular Weight | 364.14 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 58.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.1376 |
| Heavy Atoms | 24 |
| Complexity | 535.0 |
| Melting Point | 111-112 °C |
| Density | 1.2 @ 20 °C |
| Solubility | In organic solvents (g/l @ 20 °C): acetone 460, ethanol 57, hexane 10, benzene 110, xylene 390, cyclohexane 320, n-octanol 63. |
| Vapor Pressure | 0.00000118 [mmHg] |
Chemical Identifiers
| CAS Number | 96489-71-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)CSC2=C(C(=O)N(N=C2)C(C)(C)C)Cl |
| InChIKey | DWFZBUWUXWZWKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
哒螨灵 (CAS 96489-71-3), with molecular formula C19H25ClN2OS and molecular weight 364.14 g/mol. IUPAC: 2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one.
Chemical Property Profile of 哒螨灵
Property Insights of 哒螨灵
The XLogP value of 5.2 indicates that 哒螨灵 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.0 Ų, 哒螨灵 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 哒螨灵 has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 哒螨灵?
The CAS number of 哒螨灵 is 96489-71-3.
What is the molecular formula of 哒螨灵?
The molecular formula of 哒螨灵 is C19H25ClN2OS.
What is the molecular weight of 哒螨灵?
The molecular weight of 哒螨灵 is 364.14 g/mol.
Where can I buy 哒螨灵?
You can request a quote for 哒螨灵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 哒螨灵?
Yes, KEHONG BIO provides custom synthesis services for 哒螨灵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.