Arjunetin
TL;DR: Arjunetin (CAS 31297-79-7) is a chemical compound with molecular formula C36H58O10 and molecular weight 650.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
Also Known As: Arjunetin, [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate, beta-D-Glucopyranosyl 2alpha,3beta,19alpha-trihydroolean-12-en-28-oate, 1-O-(2,3,25-Trihydroxy-28-oxoolean-12-en-28-yl)hexopyranose, 1-O-[(5xi)-2beta,3alpha,25-Trihydroxy-28-oxo-9beta,18alpha-olean-12-en-28-yl]-beta-D-glucopyranose
| Molecular Formula | C36H58O10 |
|---|---|
| Molecular Weight | 650.40 g/mol |
| LogP | 2.4353 |
| Topological Polar Surface Area | 177.14 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 650.403 |
| Heavy Atoms | 46 |
| Complexity | 1231.0308 |
Chemical Identifiers
| CAS Number | 31297-79-7 |
|---|---|
| SMILES | C[C@@]12CCC3[C@@]([C@@H]1CC=C4[C@]2(CC[C@@]5([C@@H]4CC(CC5)(C)C)C(=O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)C)(C[C@@H]([C@H](C3(C)C)O)O)CO |
Product Overview
Arjunetin (CAS 31297-79-7), with molecular formula C36H58O10 and molecular weight 650.40 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,10S,11S,12aS,14bR)-10,11-dihydroxy-12a-(hydroxymethyl)-2,2,6a,6b,9,9-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate.
Chemical Property Profile of Arjunetin
Property Insights of Arjunetin
The XLogP value of 2.4353 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Arjunetin. The TPSA of 177.14 Ų indicates high polarity, suggesting Arjunetin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Arjunetin has 7 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Arjunetin?
The CAS number of Arjunetin is 31297-79-7.
What is the molecular formula of Arjunetin?
The molecular formula of Arjunetin is C36H58O10.
What is the molecular weight of Arjunetin?
The molecular weight of Arjunetin is 650.40 g/mol.
Where can I buy Arjunetin?
You can request a quote for Arjunetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arjunetin?
Yes, KEHONG BIO provides custom synthesis services for Arjunetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.