3-benzoyl-8-methoxy-2H-chromen-2-one
TL;DR: 3-benzoyl-8-methoxy-2H-chromen-2-one (CAS 77819-95-5) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzoyl-8-methoxychromen-2-one
Also Known As: 3-benzoyl-8-methoxycoumarin, 3-benzoyl-8-methoxy-2H-chromen-2-one, 3-benzoyl-8-methoxychromen-2-one, 3-benzoyl-8-methoxy-chromen-2-one, 3-Benzoyl-8-methoxy-2H-1-benzopyran-2-one
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.0326 |
| Topological Polar Surface Area | 56.51 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 862.8425 |
Chemical Identifiers
| CAS Number | 77819-95-5 |
|---|---|
| SMILES | COC1=CC=CC2=C1OC(=O)C(=C2)C(=O)C3=CC=CC=C3 |
Product Overview
3-benzoyl-8-methoxy-2H-chromen-2-one (CAS 77819-95-5), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 3-benzoyl-8-methoxychromen-2-one.
Chemical Property Profile of 3-benzoyl-8-methoxy-2H-chromen-2-one
Property Insights of 3-benzoyl-8-methoxy-2H-chromen-2-one
The XLogP value of 3.0326 indicates that 3-benzoyl-8-methoxy-2H-chromen-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.51 Ų, 3-benzoyl-8-methoxy-2H-chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-benzoyl-8-methoxy-2H-chromen-2-one 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 3-benzoyl-8-methoxy-2H-chromen-2-one?
The CAS number of 3-benzoyl-8-methoxy-2H-chromen-2-one is 77819-95-5.
What is the molecular formula of 3-benzoyl-8-methoxy-2H-chromen-2-one?
The molecular formula of 3-benzoyl-8-methoxy-2H-chromen-2-one is C17H12O4.
What is the molecular weight of 3-benzoyl-8-methoxy-2H-chromen-2-one?
The molecular weight of 3-benzoyl-8-methoxy-2H-chromen-2-one is 280.07 g/mol.
Where can I buy 3-benzoyl-8-methoxy-2H-chromen-2-one?
You can request a quote for 3-benzoyl-8-methoxy-2H-chromen-2-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-8-methoxy-2H-chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-8-methoxy-2H-chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.