Auriculine
TL;DR: Auriculine (CAS 22595-00-2) is a chemical compound with molecular formula C31H45NO8 and molecular weight 559.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate
Also Known As: Auriculine, J2.772.237G, [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate, ((1S,7AR)-hexahydro-1H-pyrrolizin-1-yl)methyl 3,5-bis(3-methylbut-2-en-1-yl)-4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzoate, ((1S,7aR)-Hexahydro-1H-pyrrolizin-1-yl)methyl 4-(beta-D-glucopyranosyloxy)-3,5-bis(3-methyl-2-buten-1-yl)benzoate
| Molecular Formula | C31H45NO8 |
|---|---|
| Molecular Weight | 559.31 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 559.3145 |
| Heavy Atoms | 40 |
| Complexity | 870.0 |
Chemical Identifiers
| CAS Number | 22595-00-2 |
|---|---|
| SMILES | CC(=CCC1=CC(=CC(=C1O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)CC=C(C)C)C(=O)OC[C@H]3CCN4[C@@H]3CCC4)C |
| InChIKey | FQXZITIIHQHGBC-KRYJLITLSA-N |
Product Overview
Auriculine (CAS 22595-00-2), with molecular formula C31H45NO8 and molecular weight 559.31 g/mol. IUPAC: [(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl 3,5-bis(3-methylbut-2-enyl)-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate.
Chemical Property Profile of Auriculine
Property Insights of Auriculine
The XLogP value of 4.4 indicates that Auriculine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Auriculine. Following Lipinski's Rule of Five, Auriculine has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Auriculine?
The CAS number of Auriculine is 22595-00-2.
What is the molecular formula of Auriculine?
The molecular formula of Auriculine is C31H45NO8.
What is the molecular weight of Auriculine?
The molecular weight of Auriculine is 559.31 g/mol.
Where can I buy Auriculine?
You can request a quote for Auriculine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Auriculine?
Yes, KEHONG BIO provides custom synthesis services for Auriculine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.