7-Hydroxy-6-methylcoumarin
TL;DR: 7-Hydroxy-6-methylcoumarin (CAS 53811-56-6) is a chemical compound with molecular formula C10H8O3 and molecular weight 176.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-6-methylchromen-2-one
Also Known As: 6-Methylumbelliferone, 6-Methylumbelliferon, 7-Hydroxy-6-methylcoumarin, 7-Hydroxy-6-methyl-2H-1-benzopyran-2-one, 7-hydroxy-6-methylchromen-2-one
| Molecular Formula | C10H8O3 |
|---|---|
| Molecular Weight | 176.05 g/mol |
| LogP | 1.80702 |
| Topological Polar Surface Area | 50.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 176.04735 |
| Heavy Atoms | 13 |
| Complexity | 511.04904 |
Chemical Identifiers
| CAS Number | 53811-56-6 |
|---|---|
| SMILES | CC1=CC2=C(C=C1O)OC(=O)C=C2 |
Product Overview
7-Hydroxy-6-methylcoumarin (CAS 53811-56-6), with molecular formula C10H8O3 and molecular weight 176.05 g/mol. IUPAC: 7-hydroxy-6-methylchromen-2-one.
Chemical Property Profile of 7-Hydroxy-6-methylcoumarin
Property Insights of 7-Hydroxy-6-methylcoumarin
The XLogP value of 1.80702 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxy-6-methylcoumarin. With a topological polar surface area (TPSA) of 50.44 Ų, 7-Hydroxy-6-methylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Hydroxy-6-methylcoumarin 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 7-Hydroxy-6-methylcoumarin?
The CAS number of 7-Hydroxy-6-methylcoumarin is 53811-56-6.
What is the molecular formula of 7-Hydroxy-6-methylcoumarin?
The molecular formula of 7-Hydroxy-6-methylcoumarin is C10H8O3.
What is the molecular weight of 7-Hydroxy-6-methylcoumarin?
The molecular weight of 7-Hydroxy-6-methylcoumarin is 176.05 g/mol.
Where can I buy 7-Hydroxy-6-methylcoumarin?
You can request a quote for 7-Hydroxy-6-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Hydroxy-6-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Hydroxy-6-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.