Deoxyherquienone
TL;DR: Deoxyherquienone (CAS 20887-73-4) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one
Also Known As: Deoxyherquienone, Deoxyherquenone, Desoxyherqueinon, 4,6,7-Trihydroxy-5-methoxy-1,8,8,9-tetramethyl-8,9-dihydro-3H-phenaleno[1,2-b]furan-3-one, 4,6,7-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 642.0 |
Chemical Identifiers
| CAS Number | 20887-73-4 |
|---|---|
| SMILES | CC1C(C2=C(C3=C4C(=C2O1)C(=CC(=O)C4=C(C(=C3O)OC)O)C)O)(C)C |
| InChIKey | KMPAOJFBQSXEAI-UHFFFAOYSA-N |
Product Overview
Deoxyherquienone (CAS 20887-73-4), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: 4,6,7-trihydroxy-5-methoxy-1,8,8,9-tetramethyl-9H-phenaleno[1,2-b]furan-3-one.
Chemical Property Profile of Deoxyherquienone
Property Insights of Deoxyherquienone
The XLogP value of 4.4 indicates that Deoxyherquienone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Deoxyherquienone. Following Lipinski's Rule of Five, Deoxyherquienone has 3 hydrogen bond donor(s) and 6 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 Deoxyherquienone?
The CAS number of Deoxyherquienone is 20887-73-4.
What is the molecular formula of Deoxyherquienone?
The molecular formula of Deoxyherquienone is C20H20O6.
What is the molecular weight of Deoxyherquienone?
The molecular weight of Deoxyherquienone is 356.13 g/mol.
Where can I buy Deoxyherquienone?
You can request a quote for Deoxyherquienone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Deoxyherquienone?
Yes, KEHONG BIO provides custom synthesis services for Deoxyherquienone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.