7-Acetocoumarin
TL;DR: 7-Acetocoumarin (CAS 87997-41-9) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-acetylchromen-2-one
Also Known As: 7-Acetocoumarin, 7-acetylchromen-2-one, 2H-1-Benzopyran-2-one, 7-acetyl-, 7-Acetyl-2H-1-benzopyran-2-one, (7-oxofuro[3,2-g]chromen-4-yl) benzoate
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.9956 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 551.70636 |
Chemical Identifiers
| CAS Number | 87997-41-9 |
|---|---|
| SMILES | CC(=O)C1=CC2=C(C=C1)C=CC(=O)O2 |
Product Overview
7-Acetocoumarin (CAS 87997-41-9), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 7-acetylchromen-2-one.
Chemical Property Profile of 7-Acetocoumarin
Property Insights of 7-Acetocoumarin
The XLogP value of 1.9956 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetocoumarin. With a topological polar surface area (TPSA) of 47.28 Ų, 7-Acetocoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Acetocoumarin has 0 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-Acetocoumarin?
The CAS number of 7-Acetocoumarin is 87997-41-9.
What is the molecular formula of 7-Acetocoumarin?
The molecular formula of 7-Acetocoumarin is C11H8O3.
What is the molecular weight of 7-Acetocoumarin?
The molecular weight of 7-Acetocoumarin is 188.05 g/mol.
Where can I buy 7-Acetocoumarin?
You can request a quote for 7-Acetocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.