6-Chlorocoumarin
TL;DR: 6-Chlorocoumarin (CAS 2051-59-4) is a chemical compound with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chlorochromen-2-one
Also Known As: 6-Chlorocoumarin, 6-chloro-2H-chromen-2-one, 6-chlorochromen-2-one, 2H-1-Benzopyran-2-one, 6-chloro-, 7-chloro coumarin
| Molecular Formula | C9H5ClO2 |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.9978 |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 2051-59-4 |
|---|---|
| SMILES | C1=CC2=C(C=CC(=O)O2)C=C1Cl |
| InChIKey | AMQSYJCKXPUEDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-Chlorocoumarin (CAS 2051-59-4), with molecular formula C9H5ClO2 and molecular weight 180.00 g/mol. IUPAC: 6-chlorochromen-2-one.
Chemical Property Profile of 6-Chlorocoumarin
Property Insights of 6-Chlorocoumarin
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chlorocoumarin. With a topological polar surface area (TPSA) of 26.3 Ų, 6-Chlorocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chlorocoumarin has 0 hydrogen bond donor(s) and 2 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 6-Chlorocoumarin?
The CAS number of 6-Chlorocoumarin is 2051-59-4.
What is the molecular formula of 6-Chlorocoumarin?
The molecular formula of 6-Chlorocoumarin is C9H5ClO2.
What is the molecular weight of 6-Chlorocoumarin?
The molecular weight of 6-Chlorocoumarin is 180.00 g/mol.
Where can I buy 6-Chlorocoumarin?
You can request a quote for 6-Chlorocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Chlorocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6-Chlorocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.