Agastinol
TL;DR: Agastinol (CAS 413615-33-5) is a chemical compound with molecular formula C27H28O8 and molecular weight 480.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate
Also Known As: Agastinol, [(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate, ((2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-((4-hydroxy-3-methoxyphenyl)methyl)oxolan-3-yl)methyl 4-hydroxybenzoate, ((2R,3S,4S)-4-(4-Hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydrofuran-3-yl)methyl 4-hydroxybenzoate, (8S,7'R,8'S)-4-Hydroxybenzoic acid 4-(4-hydroxy-3-methoxybenzyl)-2-(4-hydroxy-3-methoxyphenyl)tetrahydrofuran-3-ylmethyl ester
| Molecular Formula | C27H28O8 |
|---|---|
| Molecular Weight | 480.18 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 115.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.1784 |
| Heavy Atoms | 35 |
| Complexity | 666.0 |
Chemical Identifiers
| CAS Number | 413615-33-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C[C@@H]2CO[C@H]([C@@H]2COC(=O)C3=CC=C(C=C3)O)C4=CC(=C(C=C4)O)OC)O |
| InChIKey | GFXHOKACHHWSQG-KCPMXOJXSA-N |
Product Overview
Agastinol (CAS 413615-33-5), with molecular formula C27H28O8 and molecular weight 480.18 g/mol. IUPAC: [(2R,3S,4S)-2-(4-hydroxy-3-methoxyphenyl)-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-3-yl]methyl 4-hydroxybenzoate.
Chemical Property Profile of Agastinol
Property Insights of Agastinol
The XLogP value of 4.3 indicates that Agastinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Agastinol. Following Lipinski's Rule of Five, Agastinol has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agastinol?
The CAS number of Agastinol is 413615-33-5.
What is the molecular formula of Agastinol?
The molecular formula of Agastinol is C27H28O8.
What is the molecular weight of Agastinol?
The molecular weight of Agastinol is 480.18 g/mol.
Where can I buy Agastinol?
You can request a quote for Agastinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agastinol?
Yes, KEHONG BIO provides custom synthesis services for Agastinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.