(4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
TL;DR: (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate (CAS 444643-75-8) is a chemical compound with molecular formula C20H18O4 and molecular weight 322.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
Also Known As: 7-pivaloyloxyisoflavone, (4-oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate, 4-oxo-3-phenyl-4H-chromen-7-yl pivalate, 4-oxo-3-phenyl-4H-chromen-7-yl 2,2-dimethylpropanoate, AB01286112-01
| Molecular Formula | C20H18O4 |
|---|---|
| Molecular Weight | 322.12 g/mol |
| LogP | 4.4115 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.1205 |
| Heavy Atoms | 24 |
| Complexity | 946.7751 |
Chemical Identifiers
| CAS Number | 444643-75-8 |
|---|---|
| SMILES | CC(C)(C)C(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 |
Product Overview
(4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate (CAS 444643-75-8), with molecular formula C20H18O4 and molecular weight 322.12 g/mol. IUPAC: (4-oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate.
Chemical Property Profile of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
Property Insights of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate
The XLogP value of 4.4115 indicates that (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate 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 (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate?
The CAS number of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate is 444643-75-8.
What is the molecular formula of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate?
The molecular formula of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate is C20H18O4.
What is the molecular weight of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate?
The molecular weight of (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate is 322.12 g/mol.
Where can I buy (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate?
You can request a quote for (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (4-Oxo-3-phenylchromen-7-yl) 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.