Neobanin
TL;DR: Neobanin (CAS 108069-01-8) is a chemical compound with molecular formula C26H28O13 and molecular weight 548.153 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Neobanin, (-)-Neobanin, Daidzein 7-O-glucoside-4'-O-apioside, 3-(4-{[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy}phenyl)-4-oxo-4H-1-benzopyran-7-yl hexopyranoside, 3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Technical Specifications
| Molecular Formula | C26H28O13 |
| Molecular Weight | 548.153 g/mol |
| XLogP | -0.8 |
| Topological Polar Surface Area (TPSA) | 205.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.153 Da |
| Heavy Atoms | 39 |
| Complexity | 891.0 |
| SMILES | C1C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=C(C3=O)C=CC(=C4)OC5C(C(C(C(O5)CO)O)O)O)O)(CO)O |
| InChIKey | CLSSVAPYJUYEAY-UHFFFAOYSA-N |
Chemical Property Profile of Neobanin
Property Insights of Neobanin
The XLogP value of -0.8 indicates that Neobanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 205.0 Ų indicates high polarity, suggesting Neobanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neobanin has 7 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neobanin?
The CAS number of Neobanin is 108069-01-8.
What is the molecular formula of Neobanin?
The molecular formula of Neobanin is C26H28O13.
What is the molecular weight of Neobanin?
The molecular weight of Neobanin is 548.153 g/mol.
Where can I buy Neobanin?
You can request a quote for Neobanin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neobanin?
Yes, CoreyChem provides custom synthesis services for Neobanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.