3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate
TL;DR: 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate (CAS 444643-83-8) is a chemical compound with molecular formula C21H20O5 and molecular weight 352.13 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] 2,2-dimethylpropanoate
Also Known As: 7-pivaloyloxyisoflavone, 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate, 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl 2,2-dimethylpropanoate, AB01300283-01, [3-(4-methoxyphenyl)-4-oxochromen-7-yl] 2,2-dimethylpropanoate
| Molecular Formula | C21H20O5 |
|---|---|
| Molecular Weight | 352.13 g/mol |
| LogP | 4.4201 |
| Topological Polar Surface Area | 65.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.13107 |
| Heavy Atoms | 26 |
| Complexity | 1007.23627 |
Chemical Identifiers
| CAS Number | 444643-83-8 |
|---|---|
| SMILES | CC(C)(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 pivalate (CAS 444643-83-8), with molecular formula C21H20O5 and molecular weight 352.13 g/mol. IUPAC: [3-(4-methoxyphenyl)-4-oxochromen-7-yl] 2,2-dimethylpropanoate.
Chemical Property Profile of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate
Property Insights of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate
The XLogP value of 4.4201 indicates that 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate 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 pivalate. Following Lipinski's Rule of Five, 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate 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 pivalate?
The CAS number of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate is 444643-83-8.
What is the molecular formula of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate?
The molecular formula of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate is C21H20O5.
What is the molecular weight of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate?
The molecular weight of 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate is 352.13 g/mol.
Where can I buy 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate?
You can request a quote for 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate 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 pivalate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl pivalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.