Demethoxyeleutherol
TL;DR: Demethoxyeleutherol (CAS 1780-80-9) is a chemical compound with molecular formula C13H10O3 and molecular weight 214.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-3-methyl-3H-benzo[f][2]benzofuran-1-one
Also Known As: Demethoxyeleutherol, 4-hydroxy-3-methylnaphtho[2,3-c]furan-1(3h)-one, Naphtho[2,3-c]furan-1(3H)-one,4-hydroxy-3-methyl-, J3.533.083F, 4-hydroxy-3-methyl-3H-benzo[f][2]benzofuran-1-one
| Molecular Formula | C13H10O3 |
|---|---|
| Molecular Weight | 214.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 214.06299 |
| Heavy Atoms | 16 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 1780-80-9 |
|---|---|
| SMILES | CC1C2=C(C3=CC=CC=C3C=C2C(=O)O1)O |
| InChIKey | WKQGWWLZTWXVLU-UHFFFAOYSA-N |
Product Overview
Demethoxyeleutherol (CAS 1780-80-9), with molecular formula C13H10O3 and molecular weight 214.06 g/mol. IUPAC: 4-hydroxy-3-methyl-3H-benzo[f][2]benzofuran-1-one.
Chemical Property Profile of Demethoxyeleutherol
Property Insights of Demethoxyeleutherol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Demethoxyeleutherol. With a topological polar surface area (TPSA) of 46.5 Ų, Demethoxyeleutherol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Demethoxyeleutherol has 1 hydrogen bond donor(s) and 3 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 Demethoxyeleutherol?
The CAS number of Demethoxyeleutherol is 1780-80-9.
What is the molecular formula of Demethoxyeleutherol?
The molecular formula of Demethoxyeleutherol is C13H10O3.
What is the molecular weight of Demethoxyeleutherol?
The molecular weight of Demethoxyeleutherol is 214.06 g/mol.
Where can I buy Demethoxyeleutherol?
You can request a quote for Demethoxyeleutherol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethoxyeleutherol?
Yes, KEHONG BIO provides custom synthesis services for Demethoxyeleutherol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.