Rubiflavin
TL;DR: Rubiflavin (CAS 11016-71-0) is a chemical compound with molecular formula C41H50N2O10 and molecular weight 730.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione
Also Known As: B 17476, 10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione, 10-((2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyltetrahydro-2H-pyran-2-yl)-8-((2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)-11-hydroxy-5-methyl-2-(2-methyl-3-((Z)-prop-1-en-1-yl)oxiran-2-yl)-4H-naphtho[2,3-h]chromene-4,7,12-trione
| Molecular Formula | C41H50N2O10 |
|---|---|
| Molecular Weight | 730.35 g/mol |
| LogP | 4.44462 |
| Topological Polar Surface Area | 162.51 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 730.34656 |
| Heavy Atoms | 53 |
| Complexity | 2121.5813 |
Chemical Identifiers
| CAS Number | 11016-71-0 |
|---|---|
| SMILES | C/C=C\C1C(O1)(C)C2=CC(=O)C3=C(O2)C4=C(C=C3C)C(=O)C5=C(C4=O)C(=C(C=C5[C@H]6C[C@H]([C@@H]([C@H](O6)C)O)N(C)C)[C@H]7C[C@]([C@@H]([C@@H](O7)C)O)(C)N(C)C)O |
Product Overview
Rubiflavin (CAS 11016-71-0), with molecular formula C41H50N2O10 and molecular weight 730.35 g/mol. IUPAC: 10-[(2R,4S,5S,6S)-4-(dimethylamino)-5-hydroxy-4,6-dimethyloxan-2-yl]-8-[(2R,4R,5S,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]-11-hydroxy-5-methyl-2-[2-methyl-3-[(Z)-prop-1-enyl]oxiran-2-yl]naphtho[2,3-h]chromene-4,7,12-trione.
Chemical Property Profile of Rubiflavin
Property Insights of Rubiflavin
The XLogP value of 4.44462 indicates that Rubiflavin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 162.51 Ų indicates high polarity, suggesting Rubiflavin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Rubiflavin has 3 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Rubiflavin?
The CAS number of Rubiflavin is 11016-71-0.
What is the molecular formula of Rubiflavin?
The molecular formula of Rubiflavin is C41H50N2O10.
What is the molecular weight of Rubiflavin?
The molecular weight of Rubiflavin is 730.35 g/mol.
Where can I buy Rubiflavin?
You can request a quote for Rubiflavin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rubiflavin?
Yes, KEHONG BIO provides custom synthesis services for Rubiflavin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.