3-Acetyl-6,8-dichlorocoumarin
TL;DR: 3-Acetyl-6,8-dichlorocoumarin (CAS 2199-91-9) is a chemical compound with molecular formula C11H6Cl2O3 and molecular weight 255.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-6,8-dichlorochromen-2-one
Also Known As: 3-acetyl-6,8-dichloro-2H-chromen-2-one, 3-acetyl-6,8-dichlorochromen-2-one, Maybridge1_000520, 3-acetyl-6,8-dichlorocoumarin, 3-acetyl-6,8-dichloro-2H-1-benzopyran-2-one
| Molecular Formula | C11H6Cl2O3 |
|---|---|
| Molecular Weight | 255.97 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 255.9694 |
| Heavy Atoms | 16 |
| Complexity | 364.0 |
Chemical Identifiers
| CAS Number | 2199-91-9 |
|---|---|
| SMILES | CC(=O)C1=CC2=CC(=CC(=C2OC1=O)Cl)Cl |
| InChIKey | HCEPIRHGFPRDGG-UHFFFAOYSA-N |
Product Overview
3-Acetyl-6,8-dichlorocoumarin (CAS 2199-91-9), with molecular formula C11H6Cl2O3 and molecular weight 255.97 g/mol. IUPAC: 3-acetyl-6,8-dichlorochromen-2-one.
Chemical Property Profile of 3-Acetyl-6,8-dichlorocoumarin
Property Insights of 3-Acetyl-6,8-dichlorocoumarin
The XLogP value of 3.1 indicates that 3-Acetyl-6,8-dichlorocoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Acetyl-6,8-dichlorocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-6,8-dichlorocoumarin 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 3-Acetyl-6,8-dichlorocoumarin?
The CAS number of 3-Acetyl-6,8-dichlorocoumarin is 2199-91-9.
What is the molecular formula of 3-Acetyl-6,8-dichlorocoumarin?
The molecular formula of 3-Acetyl-6,8-dichlorocoumarin is C11H6Cl2O3.
What is the molecular weight of 3-Acetyl-6,8-dichlorocoumarin?
The molecular weight of 3-Acetyl-6,8-dichlorocoumarin is 255.97 g/mol.
Where can I buy 3-Acetyl-6,8-dichlorocoumarin?
You can request a quote for 3-Acetyl-6,8-dichlorocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-6,8-dichlorocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-6,8-dichlorocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.