阿托喹酮
TL;DR: 阿托喹酮 (CAS 95233-18-4) is a chemical compound with molecular formula C22H19ClO3 and molecular weight 366.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
阿托喹酮
3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione
Also Known As: Mepron, Wellvone, Acuvel, cis-Atovaquone, Atavaquone
| Molecular Formula | C22H19ClO3 |
|---|---|
| Molecular Weight | 366.10 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 366.10226 |
| Heavy Atoms | 26 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 95233-18-4 |
|---|---|
| SMILES | C1CC(CCC1C2=CC=C(C=C2)Cl)C3=C(C4=CC=CC=C4C(=O)C3=O)O |
| InChIKey | BSJMWHQBCZFXBR-UHFFFAOYSA-N |
Product Overview
阿托喹酮 (CAS 95233-18-4), with molecular formula C22H19ClO3 and molecular weight 366.10 g/mol. IUPAC: 3-[4-(4-chlorophenyl)cyclohexyl]-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of 阿托喹酮
Property Insights of 阿托喹酮
The XLogP value of 5.2 indicates that 阿托喹酮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, 阿托喹酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 阿托喹酮 has 1 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 阿托喹酮?
The CAS number of 阿托喹酮 is 95233-18-4.
What is the molecular formula of 阿托喹酮?
The molecular formula of 阿托喹酮 is C22H19ClO3.
What is the molecular weight of 阿托喹酮?
The molecular weight of 阿托喹酮 is 366.10 g/mol.
Where can I buy 阿托喹酮?
You can request a quote for 阿托喹酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 阿托喹酮?
Yes, KEHONG BIO provides custom synthesis services for 阿托喹酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.