Aurechinulin
TL;DR: Aurechinulin (CAS 64838-15-9) is a chemical compound with molecular formula C43H49N3O5 and molecular weight 687.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-[(E)-2-[(3Z)-8-methyl-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-2,5-dioxo-1,4-diazaspiro[5.5]undec-9-en-11-yl]ethenyl]benzaldehyde
Also Known As: Aurechinulin, Aurechinuline, Cryptoechinulin B, Cryptoechinuline B, 2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-[(E)-2-[(3Z)-8-methyl-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-2,5-dioxo-1,4-diazaspiro[5.5]undec-9-en-11-yl]ethenyl]benzaldehyde
| Molecular Formula | C43H49N3O5 |
|---|---|
| Molecular Weight | 687.37 g/mol |
| LogP | 8.1239 |
| Topological Polar Surface Area | 131.52 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 687.36725 |
| Heavy Atoms | 51 |
| Complexity | 2063.7092 |
Chemical Identifiers
| CAS Number | 64838-15-9 |
|---|---|
| SMILES | CC1CC2(C(C=C1)/C=C/C3=C(C=C(C(=C3C=O)O)CC=C(C)C)O)C(=O)N/C(=C\C4=C(NC5=C4C=CC(=C5)CC=C(C)C)C(C)(C)C=C)/C(=O)N2 |
Product Overview
Aurechinulin (CAS 64838-15-9), with molecular formula C43H49N3O5 and molecular weight 687.37 g/mol. IUPAC: 2,5-dihydroxy-3-(3-methylbut-2-enyl)-6-[(E)-2-[(3Z)-8-methyl-3-[[2-(2-methylbut-3-en-2-yl)-6-(3-methylbut-2-enyl)-1H-indol-3-yl]methylidene]-2,5-dioxo-1,4-diazaspiro[5.5]undec-9-en-11-yl]ethenyl]benzaldehyde.
Chemical Property Profile of Aurechinulin
Property Insights of Aurechinulin
The XLogP value of 8.1239 indicates that Aurechinulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.52 Ų falls within the moderate polarity range, balancing permeability and solubility for Aurechinulin. Following Lipinski's Rule of Five, Aurechinulin has 5 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Aurechinulin?
The CAS number of Aurechinulin is 64838-15-9.
What is the molecular formula of Aurechinulin?
The molecular formula of Aurechinulin is C43H49N3O5.
What is the molecular weight of Aurechinulin?
The molecular weight of Aurechinulin is 687.37 g/mol.
Where can I buy Aurechinulin?
You can request a quote for Aurechinulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aurechinulin?
Yes, KEHONG BIO provides custom synthesis services for Aurechinulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.