6''-Malonylcosmosiin
TL;DR: 6''-Malonylcosmosiin (CAS 86546-87-4) is a chemical compound with molecular formula C24H22O13 and molecular weight 518.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid
Also Known As: 6''-Malonylcosmosiin, Apigenin 7-O-malonylglucoside, Flavone base + 3O, O-MalonylHex, Apigenin 7-(6''-malonylglucoside), Apigenin 7-O-(6''-O-malonylglucoside)
| Molecular Formula | C24H22O13 |
|---|---|
| Molecular Weight | 518.11 g/mol |
| LogP | 0.0755 |
| Topological Polar Surface Area | 213.42 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.106 |
| Heavy Atoms | 37 |
| Complexity | 1363.5562 |
Chemical Identifiers
| CAS Number | 86546-87-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(C=C(C=C3O2)OC4C(C(C(C(O4)COC(=O)CC(=O)O)O)O)O)O)O |
Product Overview
6''-Malonylcosmosiin (CAS 86546-87-4), with molecular formula C24H22O13 and molecular weight 518.11 g/mol. IUPAC: 3-oxo-3-[[3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]propanoic acid.
Chemical Property Profile of 6''-Malonylcosmosiin
Property Insights of 6''-Malonylcosmosiin
The XLogP value of 0.0755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6''-Malonylcosmosiin. The TPSA of 213.42 Ų indicates high polarity, suggesting 6''-Malonylcosmosiin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6''-Malonylcosmosiin 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 6''-Malonylcosmosiin?
The CAS number of 6''-Malonylcosmosiin is 86546-87-4.
What is the molecular formula of 6''-Malonylcosmosiin?
The molecular formula of 6''-Malonylcosmosiin is C24H22O13.
What is the molecular weight of 6''-Malonylcosmosiin?
The molecular weight of 6''-Malonylcosmosiin is 518.11 g/mol.
Where can I buy 6''-Malonylcosmosiin?
You can request a quote for 6''-Malonylcosmosiin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6''-Malonylcosmosiin?
Yes, KEHONG BIO provides custom synthesis services for 6''-Malonylcosmosiin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.