3-Benzoyl-7-methoxycoumarin
TL;DR: 3-Benzoyl-7-methoxycoumarin (CAS 64267-12-5) 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-7-methoxychromen-2-one
Also Known As: 3-Benzoyl-7-methoxycoumarin, 3-benzoyl-7-methoxy-2H-chromen-2-one, celastrol, 3-Benzoyl-7-methoxy coumarin, 3-benzoyl-7-methoxychromen-2-one
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 64267-12-5 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3 |
| InChIKey | HYORIVUCOQKMOC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Benzoyl-7-methoxycoumarin (CAS 64267-12-5), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: 3-benzoyl-7-methoxychromen-2-one.
Chemical Property Profile of 3-Benzoyl-7-methoxycoumarin
Property Insights of 3-Benzoyl-7-methoxycoumarin
The XLogP value of 3.4 indicates that 3-Benzoyl-7-methoxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-Benzoyl-7-methoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-7-methoxycoumarin 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-7-methoxycoumarin?
The CAS number of 3-Benzoyl-7-methoxycoumarin is 64267-12-5.
What is the molecular formula of 3-Benzoyl-7-methoxycoumarin?
The molecular formula of 3-Benzoyl-7-methoxycoumarin is C17H12O4.
What is the molecular weight of 3-Benzoyl-7-methoxycoumarin?
The molecular weight of 3-Benzoyl-7-methoxycoumarin is 280.07 g/mol.
Where can I buy 3-Benzoyl-7-methoxycoumarin?
You can request a quote for 3-Benzoyl-7-methoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-7-methoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-7-methoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.