Demethylasterriquinone B1
TL;DR: Demethylasterriquinone B1 (CAS 78860-34-1) is a chemical compound with molecular formula C32H30N2O4 and molecular weight 506.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione
Also Known As: Demethylasterriquinone B1, Dimethylasterriquinone, DMAQ-B1, DAQ B1, demethyl-asterriquinone B1
| Molecular Formula | C32H30N2O4 |
|---|---|
| Molecular Weight | 506.22 g/mol |
| LogP | 7.0117 |
| Topological Polar Surface Area | 106.18 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 506.22055 |
| Heavy Atoms | 38 |
| Complexity | 1750.3895 |
Chemical Identifiers
| CAS Number | 78860-34-1 |
|---|---|
| SMILES | CC(=CCC1=C2C(=CC=C1)C(=CN2)C3=C(C(=O)C(=C(C3=O)O)C4=C(NC5=CC=CC=C54)C(C)(C)C=C)O)C |
Product Overview
Demethylasterriquinone B1 (CAS 78860-34-1), with molecular formula C32H30N2O4 and molecular weight 506.22 g/mol. IUPAC: 2,5-dihydroxy-3-[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]-6-[7-(3-methylbut-2-enyl)-1H-indol-3-yl]cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Demethylasterriquinone B1
Property Insights of Demethylasterriquinone B1
The XLogP value of 7.0117 indicates that Demethylasterriquinone B1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Demethylasterriquinone B1. Following Lipinski's Rule of Five, Demethylasterriquinone B1 has 4 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Demethylasterriquinone B1?
The CAS number of Demethylasterriquinone B1 is 78860-34-1.
What is the molecular formula of Demethylasterriquinone B1?
The molecular formula of Demethylasterriquinone B1 is C32H30N2O4.
What is the molecular weight of Demethylasterriquinone B1?
The molecular weight of Demethylasterriquinone B1 is 506.22 g/mol.
Where can I buy Demethylasterriquinone B1?
You can request a quote for Demethylasterriquinone B1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Demethylasterriquinone B1?
Yes, KEHONG BIO provides custom synthesis services for Demethylasterriquinone B1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.