3-Acetyl-7-methoxycoumarin
TL;DR: 3-Acetyl-7-methoxycoumarin (CAS 64267-19-2) 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.
3-acetyl-7-methoxychromen-2-one
Also Known As: 3-acetyl-7-methoxy-2H-chromen-2-one, 3-acetyl-7-methoxycoumarin, 3-acetyl-7-methoxychromen-2-one, 3-acetyl-7-methoxy-coumarin, 3-acetyl-7-methoxy-chromen-2-one
| Molecular Formula | C12H10O4 |
|---|---|
| Molecular Weight | 218.06 g/mol |
| LogP | 2.0042 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 |
| Heavy Atoms | 16 |
| Complexity | 609.9351 |
Chemical Identifiers
| CAS Number | 64267-19-2 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C(C=C2)OC)OC1=O |
Product Overview
3-Acetyl-7-methoxycoumarin (CAS 64267-19-2), with molecular formula C12H10O4 and molecular weight 218.06 g/mol. IUPAC: 3-acetyl-7-methoxychromen-2-one.
Chemical Property Profile of 3-Acetyl-7-methoxycoumarin
Property Insights of 3-Acetyl-7-methoxycoumarin
The XLogP value of 2.0042 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Acetyl-7-methoxycoumarin. With a topological polar surface area (TPSA) of 56.51 Ų, 3-Acetyl-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Acetyl-7-methoxycoumarin has 0 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 3-Acetyl-7-methoxycoumarin?
The CAS number of 3-Acetyl-7-methoxycoumarin is 64267-19-2.
What is the molecular formula of 3-Acetyl-7-methoxycoumarin?
The molecular formula of 3-Acetyl-7-methoxycoumarin is C12H10O4.
What is the molecular weight of 3-Acetyl-7-methoxycoumarin?
The molecular weight of 3-Acetyl-7-methoxycoumarin is 218.06 g/mol.
Where can I buy 3-Acetyl-7-methoxycoumarin?
You can request a quote for 3-Acetyl-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetyl-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetyl-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.