6-O-demethyl-5-deoxyfusarubin
TL;DR: 6-O-demethyl-5-deoxyfusarubin (CAS 15449-01-1) is a chemical compound with molecular formula C14H12O6 and molecular weight 276.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7,9-trihydroxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione
Also Known As: 6-Dmdf, 6-O-Demethyl-5-deoxyfusarubin, 3,7,9-trihydroxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione, 3,7,9-trihydroxy-3-methyl-3,4-dihydro-1h-benzo[g]isochromene-5,10-dione, 1H-Naphtho[2,3-c]pyran-5,10-dione,3,4-dihydro-3,7,9-trihydroxy-3-methyl- (9CI)
| Molecular Formula | C14H12O6 |
|---|---|
| Molecular Weight | 276.06 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 276.0634 |
| Heavy Atoms | 20 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 15449-01-1 |
|---|---|
| SMILES | CC1(CC2=C(CO1)C(=O)C3=C(C2=O)C=C(C=C3O)O)O |
| InChIKey | UOMAVGZJLAITCG-UHFFFAOYSA-N |
Product Overview
6-O-demethyl-5-deoxyfusarubin (CAS 15449-01-1), with molecular formula C14H12O6 and molecular weight 276.06 g/mol. IUPAC: 3,7,9-trihydroxy-3-methyl-1,4-dihydrobenzo[g]isochromene-5,10-dione.
Chemical Property Profile of 6-O-demethyl-5-deoxyfusarubin
Property Insights of 6-O-demethyl-5-deoxyfusarubin
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-O-demethyl-5-deoxyfusarubin. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-O-demethyl-5-deoxyfusarubin. Following Lipinski's Rule of Five, 6-O-demethyl-5-deoxyfusarubin has 3 hydrogen bond donor(s) and 6 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 6-O-demethyl-5-deoxyfusarubin?
The CAS number of 6-O-demethyl-5-deoxyfusarubin is 15449-01-1.
What is the molecular formula of 6-O-demethyl-5-deoxyfusarubin?
The molecular formula of 6-O-demethyl-5-deoxyfusarubin is C14H12O6.
What is the molecular weight of 6-O-demethyl-5-deoxyfusarubin?
The molecular weight of 6-O-demethyl-5-deoxyfusarubin is 276.06 g/mol.
Where can I buy 6-O-demethyl-5-deoxyfusarubin?
You can request a quote for 6-O-demethyl-5-deoxyfusarubin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-O-demethyl-5-deoxyfusarubin?
Yes, KEHONG BIO provides custom synthesis services for 6-O-demethyl-5-deoxyfusarubin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.