GnemontaninE
TL;DR: GnemontaninE (CAS 2210293-18-6) is a chemical compound with molecular formula C30H28O9 and molecular weight 532.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2R,3S)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
Also Known As: GnemontaninE, Gnemontanin E, Gnetuhainin I, (1S,2R,3S)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indene-4,6-diol
| Molecular Formula | C30H28O9 |
|---|---|
| Molecular Weight | 532.17 g/mol |
| LogP | 4.6839 |
| Topological Polar Surface Area | 160.07 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.17334 |
| Heavy Atoms | 39 |
| Complexity | 1527.9421 |
Chemical Identifiers
| CAS Number | 2210293-18-6 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@H]([C@@H](C3=C2C(=CC(=C3)O)O)[C@H](C4=CC(=C(C=C4)O)OC)O)C5=CC(=CC(=C5)O)O)O |
Product Overview
GnemontaninE (CAS 2210293-18-6), with molecular formula C30H28O9 and molecular weight 532.17 g/mol. IUPAC: (1S,2R,3S)-2-(3,5-dihydroxyphenyl)-1-[(R)-hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1H-indene-4,6-diol.
Chemical Property Profile of GnemontaninE
Property Insights of GnemontaninE
The XLogP value of 4.6839 indicates that GnemontaninE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.07 Ų indicates high polarity, suggesting GnemontaninE may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, GnemontaninE has 7 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 GnemontaninE?
The CAS number of GnemontaninE is 2210293-18-6.
What is the molecular formula of GnemontaninE?
The molecular formula of GnemontaninE is C30H28O9.
What is the molecular weight of GnemontaninE?
The molecular weight of GnemontaninE is 532.17 g/mol.
Where can I buy GnemontaninE?
You can request a quote for GnemontaninE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for GnemontaninE?
Yes, KEHONG BIO provides custom synthesis services for GnemontaninE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.