Dichloroallyl lawsone
TL;DR: Dichloroallyl lawsone (CAS 36720-80-6) is a chemical compound with molecular formula C13H8Cl2O3 and molecular weight 281.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione
Also Known As: Dichloroallyl lawsone, Dichlorolapachol, Dichlorolawsone, Dichloroallyllawsone, Lawsone, dichlorallyl-
| Molecular Formula | C13H8Cl2O3 |
|---|---|
| Molecular Weight | 281.99 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 281.98505 |
| Heavy Atoms | 18 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 36720-80-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C(=O)C2=O)CC=C(Cl)Cl)O |
| InChIKey | LWQZLQISFLBSGW-UHFFFAOYSA-N |
Product Overview
Dichloroallyl lawsone (CAS 36720-80-6), with molecular formula C13H8Cl2O3 and molecular weight 281.99 g/mol. IUPAC: 3-(3,3-dichloroprop-2-enyl)-4-hydroxynaphthalene-1,2-dione.
Chemical Property Profile of Dichloroallyl lawsone
Property Insights of Dichloroallyl lawsone
The XLogP value of 3.0 indicates that Dichloroallyl lawsone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Dichloroallyl lawsone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dichloroallyl lawsone has 1 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 Dichloroallyl lawsone?
The CAS number of Dichloroallyl lawsone is 36720-80-6.
What is the molecular formula of Dichloroallyl lawsone?
The molecular formula of Dichloroallyl lawsone is C13H8Cl2O3.
What is the molecular weight of Dichloroallyl lawsone?
The molecular weight of Dichloroallyl lawsone is 281.99 g/mol.
Where can I buy Dichloroallyl lawsone?
You can request a quote for Dichloroallyl lawsone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dichloroallyl lawsone?
Yes, KEHONG BIO provides custom synthesis services for Dichloroallyl lawsone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.