Abruquinone A
TL;DR: Abruquinone A (CAS 71593-10-7) is a chemical compound with molecular formula C19H20O7 and molecular weight 360.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione
Also Known As: Abruquinone A, Abroquinone A, 6,7,3',4'-Tetramethoxy-2',5'-isoflavanquinone, 5-[(3S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione, 2,5-Cyclohexadiene-1,4-dione, 5-(3,4-dihydro-6,7-dimethoxy-2H-1-benzopyran-3-yl)-2,3-dimethoxy-, (S)-
| Molecular Formula | C19H20O7 |
|---|---|
| Molecular Weight | 360.12 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 360.1209 |
| Heavy Atoms | 26 |
| Complexity | 636.0 |
Chemical Identifiers
| CAS Number | 71593-10-7 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C[C@H](CO2)C3=CC(=O)C(=C(C3=O)OC)OC)OC |
| InChIKey | ILLAZKQERSVUDX-LLVKDONJSA-N |
Product Overview
Abruquinone A (CAS 71593-10-7), with molecular formula C19H20O7 and molecular weight 360.12 g/mol. IUPAC: 5-[(3S)-6,7-dimethoxy-3,4-dihydro-2H-chromen-3-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Abruquinone A
Property Insights of Abruquinone A
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abruquinone A. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Abruquinone A. Following Lipinski's Rule of Five, Abruquinone A has 0 hydrogen bond donor(s) and 7 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 Abruquinone A?
The CAS number of Abruquinone A is 71593-10-7.
What is the molecular formula of Abruquinone A?
The molecular formula of Abruquinone A is C19H20O7.
What is the molecular weight of Abruquinone A?
The molecular weight of Abruquinone A is 360.12 g/mol.
Where can I buy Abruquinone A?
You can request a quote for Abruquinone A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abruquinone A?
Yes, KEHONG BIO provides custom synthesis services for Abruquinone A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.