Brasiliquinone B
TL;DR: Brasiliquinone B (CAS 183201-04-9) is a chemical compound with molecular formula C20H16O5 and molecular weight 336.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-ethyl-6,8-dihydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione
Also Known As: Brasiliquinone B, Basiliquinone B, (3S)-3-ethyl-6,8-dihydroxy-3,4-dihydrotetraphene-1,7,12(2H)-trione, (3S)-3-ethyl-6,8-dihydroxy-1,2,3,4,7,12-hexahydrotetraphene-1,7,12-trione, (3S)-3-ethyl-6,8-dihydroxy-3,4-dihydro-2H-benzo(a)anthracene-1,7,12-trione
| Molecular Formula | C20H16O5 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.0283 |
| Topological Polar Surface Area | 91.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.09976 |
| Heavy Atoms | 25 |
| Complexity | 970.5372 |
Chemical Identifiers
| CAS Number | 183201-04-9 |
|---|---|
| SMILES | CC[C@H]1CC2=CC(=C3C(=C2C(=O)C1)C(=O)C4=C(C3=O)C(=CC=C4)O)O |
Product Overview
Brasiliquinone B (CAS 183201-04-9), with molecular formula C20H16O5 and molecular weight 336.10 g/mol. IUPAC: (3S)-3-ethyl-6,8-dihydroxy-3,4-dihydro-2H-benzo[a]anthracene-1,7,12-trione.
Chemical Property Profile of Brasiliquinone B
Property Insights of Brasiliquinone B
The XLogP value of 3.0283 indicates that Brasiliquinone B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Brasiliquinone B. Following Lipinski's Rule of Five, Brasiliquinone B has 2 hydrogen bond donor(s) and 5 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 Brasiliquinone B?
The CAS number of Brasiliquinone B is 183201-04-9.
What is the molecular formula of Brasiliquinone B?
The molecular formula of Brasiliquinone B is C20H16O5.
What is the molecular weight of Brasiliquinone B?
The molecular weight of Brasiliquinone B is 336.10 g/mol.
Where can I buy Brasiliquinone B?
You can request a quote for Brasiliquinone B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brasiliquinone B?
Yes, KEHONG BIO provides custom synthesis services for Brasiliquinone B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.