Neobacin
TL;DR: Neobacin (CAS 108069-00-7) is a chemical compound with molecular formula C26H28O14 and molecular weight 564.1479 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]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Neobacin, (-)-Neobacin, Genistein 7-O-glucoside-4'-O-apioside, 3-[4-[3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5-hydroxy-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 4H-1-Benzopyran-4-one, 3-(4-(D-apio-beta-D-furanosyloxy)phenyl)-7-(beta-D-glucopyranosyloxy)-5-hydroxy-
Technical Specifications
| Molecular Formula | C26H28O14 |
| Molecular Weight | 564.1479 g/mol |
| XLogP | -0.6 |
| Topological Polar Surface Area (TPSA) | 225.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 564.1479 Da |
| Heavy Atoms | 40 |
| Complexity | 923.0 |
| SMILES | C1C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC5C(C(C(C(O5)CO)O)O)O)O)(CO)O |
| InChIKey | MYYACPYOKARWKL-UHFFFAOYSA-N |
Chemical Property Profile of Neobacin
Property Insights of Neobacin
The XLogP value of -0.6 indicates that Neobacin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 225.0 Ų indicates high polarity, suggesting Neobacin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neobacin has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Neobacin?
The CAS number of Neobacin is 108069-00-7.
What is the molecular formula of Neobacin?
The molecular formula of Neobacin is C26H28O14.
What is the molecular weight of Neobacin?
The molecular weight of Neobacin is 564.1479 g/mol.
Where can I buy Neobacin?
You can request a quote for Neobacin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Neobacin?
Yes, CoreyChem provides custom synthesis services for Neobacin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.