3-benzoyl-2-methyl-4H-chromen-4-one
TL;DR: 3-benzoyl-2-methyl-4H-chromen-4-one (CAS 4919-77-1) is a chemical compound with molecular formula C17H12O3 and molecular weight 264.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-2-methylchromen-4-one
Also Known As: 3-benzoyl-2-methylchromen-4-one, 3-benzoyl-2-methylchromone, 3-benzoyl-2-methyl-4H-chromen-4-one, 2-Methyl-3-benzoyl-4H-1-benzopyran-4-one, 4h-1-benzopyran-4-one,3-benzoyl-2-methyl-
| Molecular Formula | C17H12O3 |
|---|---|
| Molecular Weight | 264.08 g/mol |
| LogP | 3.33242 |
| Topological Polar Surface Area | 47.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 264.07864 |
| Heavy Atoms | 20 |
| Complexity | 844.98816 |
Chemical Identifiers
| CAS Number | 4919-77-1 |
|---|---|
| SMILES | CC1=C(C(=O)C2=CC=CC=C2O1)C(=O)C3=CC=CC=C3 |
Product Overview
3-benzoyl-2-methyl-4H-chromen-4-one (CAS 4919-77-1), with molecular formula C17H12O3 and molecular weight 264.08 g/mol. IUPAC: 3-benzoyl-2-methylchromen-4-one.
Chemical Property Profile of 3-benzoyl-2-methyl-4H-chromen-4-one
Property Insights of 3-benzoyl-2-methyl-4H-chromen-4-one
The XLogP value of 3.33242 indicates that 3-benzoyl-2-methyl-4H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.28 Ų, 3-benzoyl-2-methyl-4H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzoyl-2-methyl-4H-chromen-4-one has 0 hydrogen bond donor(s) and 3 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-benzoyl-2-methyl-4H-chromen-4-one?
The CAS number of 3-benzoyl-2-methyl-4H-chromen-4-one is 4919-77-1.
What is the molecular formula of 3-benzoyl-2-methyl-4H-chromen-4-one?
The molecular formula of 3-benzoyl-2-methyl-4H-chromen-4-one is C17H12O3.
What is the molecular weight of 3-benzoyl-2-methyl-4H-chromen-4-one?
The molecular weight of 3-benzoyl-2-methyl-4H-chromen-4-one is 264.08 g/mol.
Where can I buy 3-benzoyl-2-methyl-4H-chromen-4-one?
You can request a quote for 3-benzoyl-2-methyl-4H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-benzoyl-2-methyl-4H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-2-methyl-4H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.