Neoechinulin A
TL;DR: Neoechinulin A (CAS 51551-29-2) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione
Also Known As: neoechinulin A, Neochinulin A, neoechinulinA, (-)-neoechinulin A, HY-N3204
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.6069 |
| Topological Polar Surface Area | 73.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 873.86426 |
Chemical Identifiers
| CAS Number | 51551-29-2 |
|---|---|
| SMILES | C[C@H]1C(=O)N/C(=C\C2=C(NC3=CC=CC=C32)C(C)(C)C=C)/C(=O)N1 |
Product Overview
Neoechinulin A (CAS 51551-29-2), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: (3S,6Z)-3-methyl-6-[[2-(2-methylbut-3-en-2-yl)-1H-indol-3-yl]methylidene]piperazine-2,5-dione.
Chemical Property Profile of Neoechinulin A
Property Insights of Neoechinulin A
The XLogP value of 2.6069 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neoechinulin A. The TPSA of 73.99 Ų falls within the moderate polarity range, balancing permeability and solubility for Neoechinulin A. Following Lipinski's Rule of Five, Neoechinulin A has 3 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neoechinulin A?
The CAS number of Neoechinulin A is 51551-29-2.
What is the molecular formula of Neoechinulin A?
The molecular formula of Neoechinulin A is C19H21N3O2.
What is the molecular weight of Neoechinulin A?
The molecular weight of Neoechinulin A is 323.16 g/mol.
Where can I buy Neoechinulin A?
You can request a quote for Neoechinulin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neoechinulin A?
Yes, KEHONG BIO provides custom synthesis services for Neoechinulin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.