3-(4-Chloro-phenoxy)-7-acetoxycoumarin
TL;DR: 3-(4-Chloro-phenoxy)-7-acetoxycoumarin (CAS 677029-70-8) is a chemical compound with molecular formula C17H11ClO5 and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-chlorophenoxy)-2-oxochromen-7-yl] acetate
Also Known As: 3-(4-Chloro-phenoxy)-7-acetoxycoumarin, NCI60_028008, 3-(4-Chlorophenoxy)-2-oxo-2H-chromen-7-yl acetate, [3-(4-chlorophenoxy)-2-oxochromen-7-yl] acetate, [3-(4-chlorophenoxy)-2-oxo-chromen-7-yl] acetate
| Molecular Formula | C17H11ClO5 |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.0295 |
| Heavy Atoms | 23 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 677029-70-8 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)OC3=CC=C(C=C3)Cl |
| InChIKey | OZSGZTFBYXXKIX-UHFFFAOYSA-N |
Product Overview
3-(4-Chloro-phenoxy)-7-acetoxycoumarin (CAS 677029-70-8), with molecular formula C17H11ClO5 and molecular weight 330.03 g/mol. IUPAC: [3-(4-chlorophenoxy)-2-oxochromen-7-yl] acetate.
Chemical Property Profile of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin
Property Insights of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin
The XLogP value of 4.0 indicates that 3-(4-Chloro-phenoxy)-7-acetoxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloro-phenoxy)-7-acetoxycoumarin. Following Lipinski's Rule of Five, 3-(4-Chloro-phenoxy)-7-acetoxycoumarin has 0 hydrogen bond donor(s) and 5 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-(4-Chloro-phenoxy)-7-acetoxycoumarin?
The CAS number of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin is 677029-70-8.
What is the molecular formula of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin?
The molecular formula of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin is C17H11ClO5.
What is the molecular weight of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin?
The molecular weight of 3-(4-Chloro-phenoxy)-7-acetoxycoumarin is 330.03 g/mol.
Where can I buy 3-(4-Chloro-phenoxy)-7-acetoxycoumarin?
You can request a quote for 3-(4-Chloro-phenoxy)-7-acetoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Chloro-phenoxy)-7-acetoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Chloro-phenoxy)-7-acetoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.