7-Acetoxycoumarin
TL;DR: 7-Acetoxycoumarin (CAS 10387-49-2) is a chemical compound with molecular formula C11H8O4 and molecular weight 204.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-oxochromen-7-yl) acetate
Also Known As: 7-acetoxycoumarin, (2-oxochromen-7-yl) acetate, Acetylumbelliferone, 7-acetyloxycoumarin, 7-O-Acetylcoumarin
| Molecular Formula | C11H8O4 |
|---|---|
| Molecular Weight | 204.04 g/mol |
| LogP | 1.7183 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 204.04225 |
| Heavy Atoms | 15 |
| Complexity | 568.0548 |
Chemical Identifiers
| CAS Number | 10387-49-2 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=CC(=O)O2 |
Product Overview
7-Acetoxycoumarin (CAS 10387-49-2), with molecular formula C11H8O4 and molecular weight 204.04 g/mol. IUPAC: (2-oxochromen-7-yl) acetate.
Chemical Property Profile of 7-Acetoxycoumarin
Property Insights of 7-Acetoxycoumarin
The XLogP value of 1.7183 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Acetoxycoumarin. With a topological polar surface area (TPSA) of 56.51 Ų, 7-Acetoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Acetoxycoumarin 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 7-Acetoxycoumarin?
The CAS number of 7-Acetoxycoumarin is 10387-49-2.
What is the molecular formula of 7-Acetoxycoumarin?
The molecular formula of 7-Acetoxycoumarin is C11H8O4.
What is the molecular weight of 7-Acetoxycoumarin?
The molecular weight of 7-Acetoxycoumarin is 204.04 g/mol.
Where can I buy 7-Acetoxycoumarin?
You can request a quote for 7-Acetoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Acetoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Acetoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.