biochanin A 7-O-beta-D-glucoside 6''-O-malonate
TL;DR: biochanin A 7-O-beta-D-glucoside 6''-O-malonate (CAS 34232-17-2) is a chemical compound with molecular formula C25H24O13 and molecular weight 532.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Also Known As: Biochanin A 7-O-(6-O-malonyl-beta-D-glucoside), Biochanin A 7-(6-O-malonylglucoside), Biochanin A 7-O-beta-D-glucoside 6''-O-malonate, Biochanin A 7-O-glucoside 6''-O-malonate, Biochanin A 7-O-beta-D-glucoside-6''-O-malonate
| Molecular Formula | C25H24O13 |
|---|---|
| Molecular Weight | 532.12 g/mol |
| LogP | 0.3785 |
| Topological Polar Surface Area | 202.42 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 532.1217 |
| Heavy Atoms | 38 |
| Complexity | 1380.5082 |
Chemical Identifiers
| CAS Number | 34232-17-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=COC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)COC(=O)CC(=O)O)O)O)O |
Product Overview
biochanin A 7-O-beta-D-glucoside 6''-O-malonate (CAS 34232-17-2), with molecular formula C25H24O13 and molecular weight 532.12 g/mol. IUPAC: 3-oxo-3-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid.
Chemical Property Profile of biochanin A 7-O-beta-D-glucoside 6''-O-malonate
Property Insights of biochanin A 7-O-beta-D-glucoside 6''-O-malonate
The XLogP value of 0.3785 suggests moderate lipophilicity, balancing water solubility and membrane permeability for biochanin A 7-O-beta-D-glucoside 6''-O-malonate. The TPSA of 202.42 Ų indicates high polarity, suggesting biochanin A 7-O-beta-D-glucoside 6''-O-malonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, biochanin A 7-O-beta-D-glucoside 6''-O-malonate has 5 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 biochanin A 7-O-beta-D-glucoside 6''-O-malonate?
The CAS number of biochanin A 7-O-beta-D-glucoside 6''-O-malonate is 34232-17-2.
What is the molecular formula of biochanin A 7-O-beta-D-glucoside 6''-O-malonate?
The molecular formula of biochanin A 7-O-beta-D-glucoside 6''-O-malonate is C25H24O13.
What is the molecular weight of biochanin A 7-O-beta-D-glucoside 6''-O-malonate?
The molecular weight of biochanin A 7-O-beta-D-glucoside 6''-O-malonate is 532.12 g/mol.
Where can I buy biochanin A 7-O-beta-D-glucoside 6''-O-malonate?
You can request a quote for biochanin A 7-O-beta-D-glucoside 6''-O-malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for biochanin A 7-O-beta-D-glucoside 6''-O-malonate?
Yes, KEHONG BIO provides custom synthesis services for biochanin A 7-O-beta-D-glucoside 6''-O-malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.