Nigragilline
TL;DR: Nigragilline (CAS 24779-38-2) is a chemical compound with molecular formula C13H22N2O and molecular weight 222.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one
Also Known As: Nigragillin, Nigragilline, (2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one, 1,2alpha,5beta-Trimethyl-4-[(2E,4E)-1-oxohexa-2,4-dienyl]piperazine
| Molecular Formula | C13H22N2O |
|---|---|
| Molecular Weight | 222.17 g/mol |
| LogP | 1.6697 |
| Topological Polar Surface Area | 23.55 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 222.17322 |
| Heavy Atoms | 16 |
| Complexity | 296.3077 |
Chemical Identifiers
| CAS Number | 24779-38-2 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)N1C[C@H](N(C[C@@H]1C)C)C |
Product Overview
Nigragilline (CAS 24779-38-2), with molecular formula C13H22N2O and molecular weight 222.17 g/mol. IUPAC: (2E,4E)-1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexa-2,4-dien-1-one.
Chemical Property Profile of Nigragilline
Property Insights of Nigragilline
The XLogP value of 1.6697 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nigragilline. With a topological polar surface area (TPSA) of 23.55 Ų, Nigragilline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nigragilline has 0 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 Nigragilline?
The CAS number of Nigragilline is 24779-38-2.
What is the molecular formula of Nigragilline?
The molecular formula of Nigragilline is C13H22N2O.
What is the molecular weight of Nigragilline?
The molecular weight of Nigragilline is 222.17 g/mol.
Where can I buy Nigragilline?
You can request a quote for Nigragilline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigragilline?
Yes, KEHONG BIO provides custom synthesis services for Nigragilline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.