Beta-Escin, beta-Reparil, beta-Aescinu
TL;DR: Beta-Escin, beta-Reparil, beta-Aescinu (CAS 11072-93-8) is a chemical compound with molecular formula C110H172O48 and molecular weight 2261.1018 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S,3S,4S,5R,6R)-6-[[(3S,4S,4aR,6aR,6bS,8R,8aR,9R,10R,12aS,14aR,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(Z)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid;(2S,3S,4S,5R,6R)-6-[[(3S,4S,6aR,6bS,8R,8aR,9R,10R,14bR)-9-acetyloxy-8-hydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-10-[(E)-2-methylbut-2-enoyl]oxy-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-4-hydroxy-3,5-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]oxane-2-carboxylic acid
Also Known As: beta-Escin, Escin, beta-Aescusan, beta-Reparil, beta-Aescin
Technical Specifications
| Molecular Formula | C110H172O48 |
| Molecular Weight | 2261.1018 g/mol |
| XLogP | -2.6422 |
| Topological Polar Surface Area (TPSA) | 776.0 Ų |
| Hydrogen Bond Donors | 26 |
| Hydrogen Bond Acceptors | 48 |
| Rotatable Bonds | 32 |
| Exact Mass | 2261.1018 Da |
| Heavy Atoms | 158 |
| Complexity | 2300.0 |
| SMILES | C/C=C(/C)\C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CC[C@H]4[C@]3(CC[C@@H]5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)[C@@H]2CC1(C)C)C)O)CO)OC(=O)C.C/C=C(\C)/C(=O)O[C@H]1[C@@H]([C@@]2([C@@H](C[C@@]3(C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)CO)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)C(=O)O)O[C@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O[C@H]8[C@@H]([C@H]([C@@H]([C@H](O8)CO)O)O)O)C)C)C2CC1(C)C)C)O)CO)OC(=O)C |
| InChIKey | YFESOSRPNPYODN-LNXBMLMBSA-N |
Product Description
Applications: Beta-Escin, beta-Reparil, beta-Aescinu is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Beta-Escin, beta-Reparil, beta-Aescinu (CAS 11072-93-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A fine chemical supplied by CoreyChem, Beta-Escin, beta-Reparil, beta-Aescinu (CAS 11072-93-8) has the molecular formula C110H172O48 and a molecular weight of 2261.1 g/mol. It is also known as beta-Escin and Escin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Beta-Escin, beta-Reparil, beta-Aescinu
Property Insights of Beta-Escin, beta-Reparil, beta-Aescinu
The XLogP value of -2.6422 indicates that Beta-Escin, beta-Reparil, beta-Aescinu is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 776.0 Ų indicates high polarity, suggesting Beta-Escin, beta-Reparil, beta-Aescinu may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Beta-Escin, beta-Reparil, beta-Aescinu has 26 hydrogen bond donor(s) and 48 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Beta-Escin, beta-Reparil, beta-Aescinu?
The CAS number of Beta-Escin, beta-Reparil, beta-Aescinu is 11072-93-8.
What is the molecular formula of Beta-Escin, beta-Reparil, beta-Aescinu?
The molecular formula of Beta-Escin, beta-Reparil, beta-Aescinu is C110H172O48.
What is the molecular weight of Beta-Escin, beta-Reparil, beta-Aescinu?
The molecular weight of Beta-Escin, beta-Reparil, beta-Aescinu is 2261.1018 g/mol.
What are the applications of Beta-Escin, beta-Reparil, beta-Aescinu?
Beta-Escin, beta-Reparil, beta-Aescinu is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Beta-Escin, beta-Reparil, beta-Aescinu (CAS 11072-93-8) with custom synthesis available from milligram to...
Where can I buy Beta-Escin, beta-Reparil, beta-Aescinu?
You can request a quote for Beta-Escin, beta-Reparil, beta-Aescinu directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Beta-Escin, beta-Reparil, beta-Aescinu?
Yes, CoreyChem provides custom synthesis services for Beta-Escin, beta-Reparil, beta-Aescinu and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.