Peganetin
TL;DR: Peganetin (CAS 109517-74-0) is a chemical compound with molecular formula C42H54O25 and molecular weight 958.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3,4,5-trihydroxy-6-[4-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate
Also Known As: PEGANETIN, [3,4,5-trihydroxy-6-[4-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate, (3,4,5-trihydroxy-6-(4-hydroxy-2-(5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl)oxy-6-((3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxymethyl)-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl)oxyoxan-2-yl)methyl acetate, 5-Hydroxy-2-(4-methoxyphenyl)-4-oxo-4H-1-benzopyran-7-yl 6-O-acetylhexopyranosyl-(1->2)-[6-deoxyhexopyranosyl-(1->4)]-[hexopyranosyl-(1->6)]hexopyranoside
| Molecular Formula | C42H54O25 |
|---|---|
| Molecular Weight | 958.30 g/mol |
| LogP | -4.5761 |
| Topological Polar Surface Area | 382.34 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 14 |
| Exact Mass | 958.2954 |
| Heavy Atoms | 67 |
| Complexity | 2188.5835 |
Chemical Identifiers
| CAS Number | 109517-74-0 |
|---|---|
| SMILES | CC1C(C(C(C(O1)OC2C(OC(C(C2O)OC3C(C(C(C(O3)COC(=O)C)O)O)O)OC4=CC(=C5C(=C4)OC(=CC5=O)C6=CC=C(C=C6)OC)O)COC7C(C(C(C(O7)CO)O)O)O)O)O)O |
Product Overview
Peganetin (CAS 109517-74-0), with molecular formula C42H54O25 and molecular weight 958.30 g/mol. IUPAC: [3,4,5-trihydroxy-6-[4-hydroxy-2-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-[[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Peganetin
Property Insights of Peganetin
The XLogP value of -4.5761 indicates that Peganetin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 382.34 Ų indicates high polarity, suggesting Peganetin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Peganetin has 12 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Peganetin?
The CAS number of Peganetin is 109517-74-0.
What is the molecular formula of Peganetin?
The molecular formula of Peganetin is C42H54O25.
What is the molecular weight of Peganetin?
The molecular weight of Peganetin is 958.30 g/mol.
Where can I buy Peganetin?
You can request a quote for Peganetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Peganetin?
Yes, KEHONG BIO provides custom synthesis services for Peganetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.