3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
TL;DR: 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate (CAS 858769-64-9) is a chemical compound with molecular formula C20H18O5 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(4-methoxyphenyl)-4-oxochromen-7-yl] 2-methylpropanoate
Also Known As: 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate, AB01312222-01, F3385-2700, 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl isobutyrate, [3-(4-methoxyphenyl)-4-oxochromen-7-yl] 2-methylpropanoate
| Molecular Formula | C20H18O5 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 4.03 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.11542 |
| Heavy Atoms | 25 |
| Complexity | 967.5382 |
Chemical Identifiers
| CAS Number | 858769-64-9 |
|---|---|
| SMILES | CC(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=C(C=C3)OC |
Product Overview
3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate (CAS 858769-64-9), with molecular formula C20H18O5 and molecular weight 338.12 g/mol. IUPAC: [3-(4-methoxyphenyl)-4-oxochromen-7-yl] 2-methylpropanoate.
Chemical Property Profile of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
Property Insights of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate
The XLogP value of 4.03 indicates that 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate 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-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
The CAS number of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is 858769-64-9.
What is the molecular formula of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
The molecular formula of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is C20H18O5.
What is the molecular weight of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
The molecular weight of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate is 338.12 g/mol.
Where can I buy 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
You can request a quote for 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.