Iso-ustilaginoidin A
TL;DR: Iso-ustilaginoidin A (CAS 3692-07-7) is a chemical compound with molecular formula C28H18O10 and molecular weight 514.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-methyl-8-oxobenzo[g]chromen-9-yl)benzo[g]chromen-8-one
Also Known As: Ustilaginoidin A, Iso-ustilaginoidin A, Isoustilaginoidin A, didehydrocephalochromin, USTILAGINOIDINE A
| Molecular Formula | C28H18O10 |
|---|---|
| Molecular Weight | 514.09 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 1 |
| Exact Mass | 514.09 |
| Heavy Atoms | 38 |
| Complexity | 1600.0 |
Chemical Identifiers
| CAS Number | 3692-07-7 |
|---|---|
| SMILES | CC1=CC(=C2C(=CC3=C(C(=O)C=C(C3=C2O)O)C4=C5C=C6C(=C(C=C(O6)C)O)C(=C5C(=CC4=O)O)O)O1)O |
| InChIKey | JBUCAUPBQQHNRS-UHFFFAOYSA-N |
Product Overview
Iso-ustilaginoidin A (CAS 3692-07-7), with molecular formula C28H18O10 and molecular weight 514.09 g/mol. IUPAC: 4,5,6-trihydroxy-2-methyl-9-(4,5,6-trihydroxy-2-methyl-8-oxobenzo[g]chromen-9-yl)benzo[g]chromen-8-one.
Chemical Property Profile of Iso-ustilaginoidin A
Property Insights of Iso-ustilaginoidin A
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iso-ustilaginoidin A. The TPSA of 174.0 Ų indicates high polarity, suggesting Iso-ustilaginoidin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iso-ustilaginoidin A has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iso-ustilaginoidin A?
The CAS number of Iso-ustilaginoidin A is 3692-07-7.
What is the molecular formula of Iso-ustilaginoidin A?
The molecular formula of Iso-ustilaginoidin A is C28H18O10.
What is the molecular weight of Iso-ustilaginoidin A?
The molecular weight of Iso-ustilaginoidin A is 514.09 g/mol.
Where can I buy Iso-ustilaginoidin A?
You can request a quote for Iso-ustilaginoidin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iso-ustilaginoidin A?
Yes, KEHONG BIO provides custom synthesis services for Iso-ustilaginoidin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.