3-Acetyl-6-chlorocoumarin
TL;DR: 3-Acetyl-6-chlorocoumarin (CAS 60208-12-0) is a chemical compound with molecular formula C11H7ClO3 and molecular weight 222.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-6-chlorochromen-2-one
Also Known As: 3-acetyl-6-chloro-2H-chromen-2-one, 3-acetyl-6-chlorocoumarin, 3-acetyl-6-chlorochromen-2-one, 3-Acetyl-6-chloro-chromen-2-one, 3-acetyl-6-chloro-2-oxochromene
| Molecular Formula | C11H7ClO3 |
|---|---|
| Molecular Weight | 222.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 222.00838 |
| Heavy Atoms | 15 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 60208-12-0 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=CC(=C2)Cl)OC1=O |
| InChIKey | VYMAEQZQRVDKQZ-UHFFFAOYSA-N |
Product Overview
3-Acetyl-6-chlorocoumarin (CAS 60208-12-0), with molecular formula C11H7ClO3 and molecular weight 222.01 g/mol. IUPAC: 3-acetyl-6-chlorochromen-2-one.
Chemical Property Profile of 3-Acetyl-6-chlorocoumarin
Property Insights of 3-Acetyl-6-chlorocoumarin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-6-chlorocoumarin. With a topological polar surface area (TPSA) of 43.4 Ų, 3-Acetyl-6-chlorocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-6-chlorocoumarin 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-chlorocoumarin?
The CAS number of 3-Acetyl-6-chlorocoumarin is 60208-12-0.
What is the molecular formula of 3-Acetyl-6-chlorocoumarin?
The molecular formula of 3-Acetyl-6-chlorocoumarin is C11H7ClO3.
What is the molecular weight of 3-Acetyl-6-chlorocoumarin?
The molecular weight of 3-Acetyl-6-chlorocoumarin is 222.01 g/mol.
Where can I buy 3-Acetyl-6-chlorocoumarin?
You can request a quote for 3-Acetyl-6-chlorocoumarin 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-chlorocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-6-chlorocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.