6,7-Dibenzyloxycoumarin
TL;DR: 6,7-Dibenzyloxycoumarin (CAS 909-84-2) is a chemical compound with molecular formula C23H18O4 and molecular weight 358.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-bis(phenylmethoxy)chromen-2-one
Also Known As: 6,7-Dibenzyloxycoumarin, Esculetin dibenzyl ether, 6,7-bis(benzyloxy)coumarin, Esculetin dibenzylether, 6,7-bis(benzyloxy)-2H-chromen-2-one
| Molecular Formula | C23H18O4 |
|---|---|
| Molecular Weight | 358.12 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 358.1205 |
| Heavy Atoms | 27 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 909-84-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=C(C=C3C(=C2)C=CC(=O)O3)OCC4=CC=CC=C4 |
| InChIKey | GTUPSBQDBMSQTH-UHFFFAOYSA-N |
Product Overview
6,7-Dibenzyloxycoumarin (CAS 909-84-2), with molecular formula C23H18O4 and molecular weight 358.12 g/mol. IUPAC: 6,7-bis(phenylmethoxy)chromen-2-one.
Chemical Property Profile of 6,7-Dibenzyloxycoumarin
Property Insights of 6,7-Dibenzyloxycoumarin
The XLogP value of 4.8 indicates that 6,7-Dibenzyloxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 6,7-Dibenzyloxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,7-Dibenzyloxycoumarin 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 6,7-Dibenzyloxycoumarin?
The CAS number of 6,7-Dibenzyloxycoumarin is 909-84-2.
What is the molecular formula of 6,7-Dibenzyloxycoumarin?
The molecular formula of 6,7-Dibenzyloxycoumarin is C23H18O4.
What is the molecular weight of 6,7-Dibenzyloxycoumarin?
The molecular weight of 6,7-Dibenzyloxycoumarin is 358.12 g/mol.
Where can I buy 6,7-Dibenzyloxycoumarin?
You can request a quote for 6,7-Dibenzyloxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,7-Dibenzyloxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 6,7-Dibenzyloxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.