Echinulin
TL;DR: Echinulin (CAS 1859-87-6) is a chemical compound with molecular formula C29H39N3O2 and molecular weight 461.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione
Also Known As: echinulin, Echinuline, ECHINULINE [MI], KST-1A2344, HY-N3796
| Molecular Formula | C29H39N3O2 |
|---|---|
| Molecular Weight | 461.30 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 461.30423 |
| Heavy Atoms | 34 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 1859-87-6 |
|---|---|
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N1)CC2=C(NC3=C(C=C(C=C23)CC=C(C)C)CC=C(C)C)C(C)(C)C=C |
| InChIKey | DIKMWTRJIZQJMY-CYFREDJKSA-N |
Product Overview
Echinulin (CAS 1859-87-6), with molecular formula C29H39N3O2 and molecular weight 461.30 g/mol. IUPAC: (3S,6S)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-5,7-bis(3-methylbut-2-enyl)-1H-indol-3-yl]methyl]piperazine-2,5-dione.
Chemical Property Profile of Echinulin
Property Insights of Echinulin
The XLogP value of 7.0 indicates that Echinulin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Echinulin. Following Lipinski's Rule of Five, Echinulin has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Echinulin?
The CAS number of Echinulin is 1859-87-6.
What is the molecular formula of Echinulin?
The molecular formula of Echinulin is C29H39N3O2.
What is the molecular weight of Echinulin?
The molecular weight of Echinulin is 461.30 g/mol.
Where can I buy Echinulin?
You can request a quote for Echinulin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Echinulin?
Yes, KEHONG BIO provides custom synthesis services for Echinulin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.