Abruquinone B
TL;DR: Abruquinone B (CAS 71593-09-4) is a chemical compound with molecular formula C20H22O8 and molecular weight 390.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethoxy-5-[(3S)-6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Abruquinone B, 2,3-dimethoxy-5-[(3S)-6,7,8-trimethoxy-3,4-dihydro-2H-1-benzopyran-3-yl]cyclohexa-2,5-diene-1,4-dione, 2,3-dimethoxy-5-[(3S)-6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl]cyclohexa-2,5-diene-1,4-dione, 2,3-dimethoxy-5-[(3S)-6,7,8-trimethoxychroman-3-yl]-1,4-benzoquinone, 2,3-dimethoxy-5-((3S)-6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl)cyclohexa-2,5-diene-1,4-dione
| Molecular Formula | C20H22O8 |
|---|---|
| Molecular Weight | 390.13 g/mol |
| LogP | 1.8461 |
| Topological Polar Surface Area | 89.52 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 390.13147 |
| Heavy Atoms | 28 |
| Complexity | 880.6821 |
Chemical Identifiers
| CAS Number | 71593-09-4 |
|---|---|
| SMILES | COC1=C(C(=C2C(=C1)C[C@H](CO2)C3=CC(=O)C(=C(C3=O)OC)OC)OC)OC |
Product Overview
Abruquinone B (CAS 71593-09-4), with molecular formula C20H22O8 and molecular weight 390.13 g/mol. IUPAC: 2,3-dimethoxy-5-[(3S)-6,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Abruquinone B
Property Insights of Abruquinone B
The XLogP value of 1.8461 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Abruquinone B. The TPSA of 89.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Abruquinone B. Following Lipinski's Rule of Five, Abruquinone B has 0 hydrogen bond donor(s) and 8 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 B?
The CAS number of Abruquinone B is 71593-09-4.
What is the molecular formula of Abruquinone B?
The molecular formula of Abruquinone B is C20H22O8.
What is the molecular weight of Abruquinone B?
The molecular weight of Abruquinone B is 390.13 g/mol.
Where can I buy Abruquinone B?
You can request a quote for Abruquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Abruquinone B?
Yes, KEHONG BIO provides custom synthesis services for Abruquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.