Nigragilline, tetrahydro-
TL;DR: Nigragilline, tetrahydro- (CAS 24779-41-7) is a chemical compound with molecular formula C13H26N2O and molecular weight 226.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexan-1-one
Also Known As: Tetrahydronigragillin, Nigragilline, tetrahydro-, 1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexan-1-one
| Molecular Formula | C13H26N2O |
|---|---|
| Molecular Weight | 226.20 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.20451 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 24779-41-7 |
|---|---|
| SMILES | CCCCCC(=O)N1C[C@H](N(C[C@@H]1C)C)C |
| InChIKey | QSVVIHKUSYIAGZ-NEPJUHHUSA-N |
Product Overview
Nigragilline, tetrahydro- (CAS 24779-41-7), with molecular formula C13H26N2O and molecular weight 226.20 g/mol. IUPAC: 1-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]hexan-1-one.
Chemical Property Profile of Nigragilline, tetrahydro-
Property Insights of Nigragilline, tetrahydro-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nigragilline, tetrahydro-. With a topological polar surface area (TPSA) of 23.6 Ų, Nigragilline, tetrahydro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nigragilline, tetrahydro- 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, tetrahydro-?
The CAS number of Nigragilline, tetrahydro- is 24779-41-7.
What is the molecular formula of Nigragilline, tetrahydro-?
The molecular formula of Nigragilline, tetrahydro- is C13H26N2O.
What is the molecular weight of Nigragilline, tetrahydro-?
The molecular weight of Nigragilline, tetrahydro- is 226.20 g/mol.
Where can I buy Nigragilline, tetrahydro-?
You can request a quote for Nigragilline, tetrahydro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nigragilline, tetrahydro-?
Yes, KEHONG BIO provides custom synthesis services for Nigragilline, tetrahydro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.