4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-
TL;DR: 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- (CAS 137988-10-4) 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)-4-oxochromen-7-yl] acetate
Also Known As: IFLab1_000684, IFLab2_000117, 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-, EiM07-30371, 3-(4-chlorophenoxy)-4-oxo-4H-chromen-7-yl acetate
| Molecular Formula | C17H11ClO5 |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 3.7 |
| 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 | 137988-10-4 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)OC3=CC=C(C=C3)Cl |
| InChIKey | QCOTUFUZJRIASD-UHFFFAOYSA-N |
Product Overview
4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- (CAS 137988-10-4), with molecular formula C17H11ClO5 and molecular weight 330.03 g/mol. IUPAC: [3-(4-chlorophenoxy)-4-oxochromen-7-yl] acetate.
Chemical Property Profile of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-
Property Insights of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-
The XLogP value of 3.7 indicates that 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- 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 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-. Following Lipinski's Rule of Five, 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- 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 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-?
The CAS number of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- is 137988-10-4.
What is the molecular formula of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-?
The molecular formula of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- is C17H11ClO5.
What is the molecular weight of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-?
The molecular weight of 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- is 330.03 g/mol.
Where can I buy 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-?
You can request a quote for 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1-Benzopyran-4-one, 7-(acetyloxy)-3-(4-chlorophenoxy)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.