5-Benzyloxy-6,7-dimethoxycoumarin
TL;DR: 5-Benzyloxy-6,7-dimethoxycoumarin (CAS 68691-84-9) is a chemical compound with molecular formula C18H16O5 and molecular weight 312.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,7-dimethoxy-5-phenylmethoxychromen-2-one
Also Known As: 5-Benzyloxy-6,7-dimethoxycoumarin, 2-Ethyl-2-(4-tolyl)malonamide, 5-(Benzyloxy)-6,7-dimethoxy-2H-chromen-2-one, 6,7-dimethoxy-5-phenylmethoxychromen-2-one, 2H-1-Benzopyran-2-one, 6,7-dimethoxy-5-(phenylmethoxy)-
| Molecular Formula | C18H16O5 |
|---|---|
| Molecular Weight | 312.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 312.09976 |
| Heavy Atoms | 23 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 68691-84-9 |
|---|---|
| SMILES | COC1=C(C(=C2C=CC(=O)OC2=C1)OCC3=CC=CC=C3)OC |
| InChIKey | ZBZFOLVXVFNNFD-UHFFFAOYSA-N |
Product Overview
5-Benzyloxy-6,7-dimethoxycoumarin (CAS 68691-84-9), with molecular formula C18H16O5 and molecular weight 312.10 g/mol. IUPAC: 6,7-dimethoxy-5-phenylmethoxychromen-2-one.
Chemical Property Profile of 5-Benzyloxy-6,7-dimethoxycoumarin
Property Insights of 5-Benzyloxy-6,7-dimethoxycoumarin
The XLogP value of 3.3 indicates that 5-Benzyloxy-6,7-dimethoxycoumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 5-Benzyloxy-6,7-dimethoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyloxy-6,7-dimethoxycoumarin has 0 hydrogen bond donor(s) and 5 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 5-Benzyloxy-6,7-dimethoxycoumarin?
The CAS number of 5-Benzyloxy-6,7-dimethoxycoumarin is 68691-84-9.
What is the molecular formula of 5-Benzyloxy-6,7-dimethoxycoumarin?
The molecular formula of 5-Benzyloxy-6,7-dimethoxycoumarin is C18H16O5.
What is the molecular weight of 5-Benzyloxy-6,7-dimethoxycoumarin?
The molecular weight of 5-Benzyloxy-6,7-dimethoxycoumarin is 312.10 g/mol.
Where can I buy 5-Benzyloxy-6,7-dimethoxycoumarin?
You can request a quote for 5-Benzyloxy-6,7-dimethoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyloxy-6,7-dimethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyloxy-6,7-dimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.