Amarogentin
TL;DR: Amarogentin (CAS 21018-84-8) is a chemical compound with molecular formula C29H30O13 and molecular weight 586.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate
Also Known As: Amarogentin, Amarogentin (Standard), AMAROGENTIN [MI], AMAROGENTIN (REFERENCE GRADE), s1273
| Molecular Formula | C29H30O13 |
|---|---|
| Molecular Weight | 586.17 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 202.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 8 |
| Exact Mass | 586.16864 |
| Heavy Atoms | 42 |
| Complexity | 1020.0 |
Chemical Identifiers
| CAS Number | 21018-84-8 |
|---|---|
| SMILES | C=C[C@@H]1[C@@H]2CCOC(=O)C2=CO[C@H]1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)OC(=O)C4=C(C=C(C=C4O)O)C5=CC(=CC=C5)O |
| InChIKey | DBOVHQOUSDWAPQ-WTONXPSSSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Amarogentin (CAS 21018-84-8), with molecular formula C29H30O13 and molecular weight 586.17 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-2-[[(3S,4R,4aS)-4-ethenyl-8-oxo-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-3-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] 2,4-dihydroxy-6-(3-hydroxyphenyl)benzoate.
Chemical Property Profile of Amarogentin
Property Insights of Amarogentin
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Amarogentin. The TPSA of 202.0 Ų indicates high polarity, suggesting Amarogentin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amarogentin has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amarogentin?
The CAS number of Amarogentin is 21018-84-8.
What is the molecular formula of Amarogentin?
The molecular formula of Amarogentin is C29H30O13.
What is the molecular weight of Amarogentin?
The molecular weight of Amarogentin is 586.17 g/mol.
Where can I buy Amarogentin?
You can request a quote for Amarogentin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amarogentin?
Yes, KEHONG BIO provides custom synthesis services for Amarogentin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.