FLAVONE DERIV
TL;DR: FLAVONE DERIV (CAS 96686-70-3) is a chemical compound with molecular formula C30H28O12 and molecular weight 580.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
Also Known As: FLAVONE DERIV, 6''-p-Coumaroylprunin, J2.391.226K, 4H-1-Benzopyran-4-one,2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-7-((6-O-((2E)-3-(4-hydroxyphenyl)-1-oxo-2-propenyl)-beta-D-glucopyranosyl)oxy)-, 7-[6-O-(4-Hydroxycinnamoyl)-beta-D-glucopyranosyloxy]-4 ,5-dihydroxyflavanone
| Molecular Formula | C30H28O12 |
|---|---|
| Molecular Weight | 580.16 g/mol |
| LogP | 1.9529 |
| Topological Polar Surface Area | 192.44 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 580.1581 |
| Heavy Atoms | 42 |
| Complexity | 1466.8549 |
Chemical Identifiers
| CAS Number | 96686-70-3 |
|---|---|
| SMILES | C1C(OC2=CC(=CC(=C2C1=O)O)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COC(=O)/C=C/C4=CC=C(C=C4)O)O)O)O)C5=CC=C(C=C5)O |
Product Overview
FLAVONE DERIV (CAS 96686-70-3), with molecular formula C30H28O12 and molecular weight 580.16 g/mol. IUPAC: [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[[5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-7-yl]oxy]oxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate.
Chemical Property Profile of FLAVONE DERIV
Property Insights of FLAVONE DERIV
The XLogP value of 1.9529 suggests moderate lipophilicity, balancing water solubility and membrane permeability for FLAVONE DERIV. The TPSA of 192.44 Ų indicates high polarity, suggesting FLAVONE DERIV may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, FLAVONE DERIV has 6 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 FLAVONE DERIV?
The CAS number of FLAVONE DERIV is 96686-70-3.
What is the molecular formula of FLAVONE DERIV?
The molecular formula of FLAVONE DERIV is C30H28O12.
What is the molecular weight of FLAVONE DERIV?
The molecular weight of FLAVONE DERIV is 580.16 g/mol.
Where can I buy FLAVONE DERIV?
You can request a quote for FLAVONE DERIV directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for FLAVONE DERIV?
Yes, KEHONG BIO provides custom synthesis services for FLAVONE DERIV and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.