Endosidin1
TL;DR: Endosidin1 (CAS 57672-91-0) is a chemical compound with molecular formula C38H50O16 and molecular weight 762.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate
Also Known As: Prieurianin, Endosidin1, Endosidin 1, [(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate, A-Homo-24-nor-4-oxa-6,7-secochola-7,20,22-triene-6-carboxylic acid, 1-(acetyloxy)-4a-((acetyloxy)methyl)-21,23-epoxy-11-(formyloxy)-14-hydroxy-12-((2-hydroxy-3-methyl-1-oxopentyl)oxy)-4a-methyl-3,15-dioxo-, methyl ester, (1alpha,4abeta,5beta,11beta,12alpha(2R,3R),13alpha,14beta,17alpha)-
| Molecular Formula | C38H50O16 |
|---|---|
| Molecular Weight | 762.31 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 228.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 17 |
| Exact Mass | 762.3099 |
| Heavy Atoms | 54 |
| Complexity | 1530.0 |
Chemical Identifiers
| CAS Number | 57672-91-0 |
|---|---|
| SMILES | CC[C@@H](C)[C@H](C(=O)O[C@H]1[C@@H]([C@H](C(=C)[C@@]2([C@@]1([C@H](CC2=O)C3=COC=C3)C)O)[C@@]4([C@H](CC(=O)O[C@]([C@@H]4CC(=O)OC)(C)COC(=O)C)OC(=O)C)C)OC=O)O |
| InChIKey | LRLMYQFHTXHFRH-RUPODZMKSA-N |
Product Overview
Endosidin1 (CAS 57672-91-0), with molecular formula C38H50O16 and molecular weight 762.31 g/mol. IUPAC: [(3R,3aR,4R,5R,6S,7aS)-6-[(2S,3R,4S,5S)-5-acetyloxy-2-(acetyloxymethyl)-3-(2-methoxy-2-oxoethyl)-2,4-dimethyl-7-oxooxepan-4-yl]-5-formyloxy-3-(furan-3-yl)-7a-hydroxy-3a-methyl-7-methylidene-1-oxo-3,4,5,6-tetrahydro-2H-inden-4-yl] (2R,3R)-2-hydroxy-3-methylpentanoate.
Chemical Property Profile of Endosidin1
Property Insights of Endosidin1
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Endosidin1. The TPSA of 228.0 Ų indicates high polarity, suggesting Endosidin1 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Endosidin1 has 2 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Endosidin1?
The CAS number of Endosidin1 is 57672-91-0.
What is the molecular formula of Endosidin1?
The molecular formula of Endosidin1 is C38H50O16.
What is the molecular weight of Endosidin1?
The molecular weight of Endosidin1 is 762.31 g/mol.
Where can I buy Endosidin1?
You can request a quote for Endosidin1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Endosidin1?
Yes, KEHONG BIO provides custom synthesis services for Endosidin1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.