Gaboroquinone B
TL;DR: Gaboroquinone B (CAS 455884-25-0) is a chemical compound with molecular formula C24H18O9 and molecular weight 450.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Also Known As: Gaboroquinone B, J1.793.302G, 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione, 1-(3-Acetyl-2,6-dihydroxy-4-methoxy-phenyl)-4,5-dihydroxy-2-hydroxymethyl-anthraquinone, 1-(3-Acetyl-2,6-dihydroxy-4-methoxyphenyl)-2-(hydroxymethyl)-4,5-dihydroxy-9,10-anthracenedione
| Molecular Formula | C24H18O9 |
|---|---|
| Molecular Weight | 450.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 450.0951 |
| Heavy Atoms | 33 |
| Complexity | 784.0 |
Chemical Identifiers
| CAS Number | 455884-25-0 |
|---|---|
| SMILES | CC(=O)C1=C(C=C(C(=C1O)C2=C3C(=C(C=C2CO)O)C(=O)C4=C(C3=O)C=CC=C4O)O)OC |
| InChIKey | XBZFXAYXSQAPPD-UHFFFAOYSA-N |
Product Overview
Gaboroquinone B (CAS 455884-25-0), with molecular formula C24H18O9 and molecular weight 450.10 g/mol. IUPAC: 1-(3-acetyl-2,6-dihydroxy-4-methoxyphenyl)-4,5-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione.
Chemical Property Profile of Gaboroquinone B
Property Insights of Gaboroquinone B
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Gaboroquinone B. The TPSA of 162.0 Ų indicates high polarity, suggesting Gaboroquinone B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Gaboroquinone B has 5 hydrogen bond donor(s) and 9 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 Gaboroquinone B?
The CAS number of Gaboroquinone B is 455884-25-0.
What is the molecular formula of Gaboroquinone B?
The molecular formula of Gaboroquinone B is C24H18O9.
What is the molecular weight of Gaboroquinone B?
The molecular weight of Gaboroquinone B is 450.10 g/mol.
Where can I buy Gaboroquinone B?
You can request a quote for Gaboroquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Gaboroquinone B?
Yes, KEHONG BIO provides custom synthesis services for Gaboroquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.