Buddlenoid A
TL;DR: Buddlenoid A (CAS 142750-32-1) is a chemical compound with molecular formula C30H26O13 and molecular weight 594.1373 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: buddlenoid A, Biondnoid I, 6 -O-(4-Hydroxycinnamoyl)populnin, [(2R,3S,4S,5R,6S)-6-[3,5-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate, J3.739.695H
Technical Specifications
| Molecular Formula | C30H26O13 |
| Molecular Weight | 594.1373 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 594.1373 Da |
| Heavy Atoms | 43 |
| Complexity | 1040.0 |
| SMILES | C1=CC(=CC=C1/C=C/C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O)O)O)O |
| InChIKey | GVLNXQDHAFPPFW-HESOAOHTSA-N |
Chemical Property Profile of Buddlenoid A
Property Insights of Buddlenoid A
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Buddlenoid A. The TPSA of 213.0 Ų indicates high polarity, suggesting Buddlenoid A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Buddlenoid A 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 Buddlenoid A?
The CAS number of Buddlenoid A is 142750-32-1.
What is the molecular formula of Buddlenoid A?
The molecular formula of Buddlenoid A is C30H26O13.
What is the molecular weight of Buddlenoid A?
The molecular weight of Buddlenoid A is 594.1373 g/mol.
Where can I buy Buddlenoid A?
You can request a quote for Buddlenoid A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Buddlenoid A?
Yes, CoreyChem provides custom synthesis services for Buddlenoid A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.