6-Chloro-7-hydroxy coumarin
TL;DR: 6-Chloro-7-hydroxy coumarin (CAS 87893-58-1) is a chemical compound with molecular formula C9H5ClO3 and molecular weight 195.99272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-7-hydroxychromen-2-one
Also Known As: 6-chloro-7-hydroxycoumarin, 6-chloro-7-hydroxychromen-2-one, 6-chloro-7-hydroxy coumarin, 6-chloro-7-hydroxy-coumarin, 6-chloro-7-hydroxy-2H-chromen-2-one
Technical Specifications
| Molecular Formula | C9H5ClO3 |
| Molecular Weight | 195.99272 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 195.99272 Da |
| Heavy Atoms | 13 |
| Complexity | 251.0 |
| SMILES | C1=CC(=O)OC2=CC(=C(C=C21)Cl)O |
| InChIKey | CFVSMUGHMLAHRB-UHFFFAOYSA-N |
Chemical Property Profile of 6-Chloro-7-hydroxy coumarin
Property Insights of 6-Chloro-7-hydroxy coumarin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Chloro-7-hydroxy coumarin. With a topological polar surface area (TPSA) of 46.5 Ų, 6-Chloro-7-hydroxy coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Chloro-7-hydroxy coumarin 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
What is the CAS number of 6-Chloro-7-hydroxy coumarin?
The CAS number of 6-Chloro-7-hydroxy coumarin is 87893-58-1.
What is the molecular formula of 6-Chloro-7-hydroxy coumarin?
The molecular formula of 6-Chloro-7-hydroxy coumarin is C9H5ClO3.
What is the molecular weight of 6-Chloro-7-hydroxy coumarin?
The molecular weight of 6-Chloro-7-hydroxy coumarin is 195.99272 g/mol.
Where can I buy 6-Chloro-7-hydroxy coumarin?
You can request a quote for 6-Chloro-7-hydroxy coumarin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-Chloro-7-hydroxy coumarin?
Yes, CoreyChem provides custom synthesis services for 6-Chloro-7-hydroxy coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.