8-Acetyl-7-hydroxy-4-methylcoumarin
TL;DR: 8-Acetyl-7-hydroxy-4-methylcoumarin (CAS 2555-29-5) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-acetyl-7-hydroxy-4-methylchromen-2-one
Also Known As: 8-Acetyl-7-hydroxy-4-methylcoumarin, 8-Acetyl-7-hydroxy-4-methyl-2H-chromen-2-one, 8-Acetyl-4-methylumbelliferone, 4-Methyl-7-hydroxy-8-acetylcoumarin, 8-acetyl-7-hydroxy-4-methylchromen-2-one
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.00962 |
| Topological Polar Surface Area | 67.51 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 637.2442 |
Chemical Identifiers
| CAS Number | 2555-29-5 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)O |
Product Overview
8-Acetyl-7-hydroxy-4-methylcoumarin (CAS 2555-29-5), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 8-acetyl-7-hydroxy-4-methylchromen-2-one.
Chemical Property Profile of 8-Acetyl-7-hydroxy-4-methylcoumarin
Property Insights of 8-Acetyl-7-hydroxy-4-methylcoumarin
The XLogP value of 2.00962 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Acetyl-7-hydroxy-4-methylcoumarin. The TPSA of 67.51 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Acetyl-7-hydroxy-4-methylcoumarin. Following Lipinski's Rule of Five, 8-Acetyl-7-hydroxy-4-methylcoumarin has 1 hydrogen bond donor(s) and 4 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 8-Acetyl-7-hydroxy-4-methylcoumarin?
The CAS number of 8-Acetyl-7-hydroxy-4-methylcoumarin is 2555-29-5.
What is the molecular formula of 8-Acetyl-7-hydroxy-4-methylcoumarin?
The molecular formula of 8-Acetyl-7-hydroxy-4-methylcoumarin is C12H10O4.
What is the molecular weight of 8-Acetyl-7-hydroxy-4-methylcoumarin?
The molecular weight of 8-Acetyl-7-hydroxy-4-methylcoumarin is 218.06 g/mol.
Where can I buy 8-Acetyl-7-hydroxy-4-methylcoumarin?
You can request a quote for 8-Acetyl-7-hydroxy-4-methylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Acetyl-7-hydroxy-4-methylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 8-Acetyl-7-hydroxy-4-methylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.