5,6,7-Trimethoxycoumarin
TL;DR: 5,6,7-Trimethoxycoumarin (CAS 6035-49-0) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6,7-trimethoxychromen-2-one
Also Known As: 5,6,7-Trimethoxycoumarin, fraxinol methyl ether, 5,6,7-trimethoxychromen-2-one, 567-Trimethoxycoumarin, starbld0036076
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 6035-49-0 |
|---|---|
| SMILES | COC1=C(C(=C2C=CC(=O)OC2=C1)OC)OC |
| InChIKey | FOBNRKTURPWTQX-UHFFFAOYSA-N |
Product Overview
5,6,7-Trimethoxycoumarin (CAS 6035-49-0), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 5,6,7-trimethoxychromen-2-one.
Chemical Property Profile of 5,6,7-Trimethoxycoumarin
Property Insights of 5,6,7-Trimethoxycoumarin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6,7-Trimethoxycoumarin. With a topological polar surface area (TPSA) of 54.0 Ų, 5,6,7-Trimethoxycoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,6,7-Trimethoxycoumarin 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 5,6,7-Trimethoxycoumarin?
The CAS number of 5,6,7-Trimethoxycoumarin is 6035-49-0.
What is the molecular formula of 5,6,7-Trimethoxycoumarin?
The molecular formula of 5,6,7-Trimethoxycoumarin is C12H12O5.
What is the molecular weight of 5,6,7-Trimethoxycoumarin?
The molecular weight of 5,6,7-Trimethoxycoumarin is 236.07 g/mol.
Where can I buy 5,6,7-Trimethoxycoumarin?
You can request a quote for 5,6,7-Trimethoxycoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6,7-Trimethoxycoumarin?
Yes, KEHONG BIO provides custom synthesis services for 5,6,7-Trimethoxycoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.