Apigenin 7-O-methylglucuronide
TL;DR: Apigenin 7-O-methylglucuronide (CAS 53538-13-9) is a chemical compound with molecular formula C22H20O11 and molecular weight 460.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
Also Known As: Apigenin 7-O-methylglucuronide, Apigenin7-O-methylglucuronide, 4CN-2254, NCI60_006772, methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
| Molecular Formula | C22H20O11 |
|---|---|
| Molecular Weight | 460.10 g/mol |
| LogP | 0.2306 |
| Topological Polar Surface Area | 176.12 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.10056 |
| Heavy Atoms | 33 |
| Complexity | 1233.5609 |
Chemical Identifiers
| CAS Number | 53538-13-9 |
|---|---|
| SMILES | COC(=O)C1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=CC3=O)C4=CC=C(C=C4)O)O)O)O)O |
Product Overview
Apigenin 7-O-methylglucuronide (CAS 53538-13-9), with molecular formula C22H20O11 and molecular weight 460.10 g/mol. IUPAC: methyl 3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate.
Chemical Property Profile of Apigenin 7-O-methylglucuronide
Property Insights of Apigenin 7-O-methylglucuronide
The XLogP value of 0.2306 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Apigenin 7-O-methylglucuronide. The TPSA of 176.12 Ų indicates high polarity, suggesting Apigenin 7-O-methylglucuronide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Apigenin 7-O-methylglucuronide has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Apigenin 7-O-methylglucuronide?
The CAS number of Apigenin 7-O-methylglucuronide is 53538-13-9.
What is the molecular formula of Apigenin 7-O-methylglucuronide?
The molecular formula of Apigenin 7-O-methylglucuronide is C22H20O11.
What is the molecular weight of Apigenin 7-O-methylglucuronide?
The molecular weight of Apigenin 7-O-methylglucuronide is 460.10 g/mol.
Where can I buy Apigenin 7-O-methylglucuronide?
You can request a quote for Apigenin 7-O-methylglucuronide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Apigenin 7-O-methylglucuronide?
Yes, KEHONG BIO provides custom synthesis services for Apigenin 7-O-methylglucuronide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.