Isorhapontin
TL;DR: Isorhapontin (CAS 32727-29-0) is a chemical compound with molecular formula C21H24O9 and molecular weight 420.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
Also Known As: Isorhapontin
| Molecular Formula | C21H24O9 |
|---|---|
| Molecular Weight | 420.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.14203 |
| Heavy Atoms | 30 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 32727-29-0 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC2=CC(=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)O |
| InChIKey | KLPUXMNQDCUPNO-YMQHIKHWSA-N |
Product Overview
Isorhapontin (CAS 32727-29-0), with molecular formula C21H24O9 and molecular weight 420.14 g/mol. IUPAC: (2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol.
Chemical Property Profile of Isorhapontin
Property Insights of Isorhapontin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isorhapontin. The TPSA of 149.0 Ų indicates high polarity, suggesting Isorhapontin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isorhapontin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isorhapontin?
The CAS number of Isorhapontin is 32727-29-0.
What is the molecular formula of Isorhapontin?
The molecular formula of Isorhapontin is C21H24O9.
What is the molecular weight of Isorhapontin?
The molecular weight of Isorhapontin is 420.14 g/mol.
Where can I buy Isorhapontin?
You can request a quote for Isorhapontin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isorhapontin?
Yes, KEHONG BIO provides custom synthesis services for Isorhapontin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.