4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate
TL;DR: 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate (CAS 449739-52-0) is a chemical compound with molecular formula C23H16O4 and molecular weight 356.10 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-methylbenzoate
Also Known As: 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate, 4-oxo-3-phenylchromen-7-yl 2-methylbenzoate, (4-oxo-3-phenylchromen-7-yl) 2-methylbenzoate, AB00296635-02, F3139-1131
| Molecular Formula | C23H16O4 |
|---|---|
| Molecular Weight | 356.10 g/mol |
| LogP | 4.98762 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.10486 |
| Heavy Atoms | 27 |
| Complexity | 1189.8899 |
Chemical Identifiers
| CAS Number | 449739-52-0 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC3=C(C=C2)C(=O)C(=CO3)C4=CC=CC=C4 |
Product Overview
4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate (CAS 449739-52-0), with molecular formula C23H16O4 and molecular weight 356.10 g/mol. IUPAC: (4-oxo-3-phenylchromen-7-yl) 2-methylbenzoate.
Chemical Property Profile of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate
Property Insights of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate
The XLogP value of 4.98762 indicates that 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate 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-phenyl-4H-chromen-7-yl 2-methylbenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate 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-phenyl-4H-chromen-7-yl 2-methylbenzoate?
The CAS number of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate is 449739-52-0.
What is the molecular formula of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate?
The molecular formula of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate is C23H16O4.
What is the molecular weight of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate?
The molecular weight of 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate is 356.10 g/mol.
Where can I buy 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate?
You can request a quote for 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate 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-phenyl-4H-chromen-7-yl 2-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 4-oxo-3-phenyl-4H-chromen-7-yl 2-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.