Agelenotoxin 452
TL;DR: Agelenotoxin 452 (CAS 128549-98-4) is a chemical compound with molecular formula C23H44N6O3 and molecular weight 452.3475 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[3-[3-[3-[4-(3-aminopropylamino)butylamino]propylamino]propyl-hydroxyamino]propyl]-4-hydroxybenzamide
Also Known As: Agelenotoxin 452, Agel 452, alpha-Agatoxin AG 452, J1.658.067H, Benzamide, N-(20-amino-4-hydroxy-4,8,12,17-tetraazaeicos-1-yl)-4-hydroxy-
Technical Specifications
| Molecular Formula | C23H44N6O3 |
| Molecular Weight | 452.3475 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 135.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 21 |
| Exact Mass | 452.3475 Da |
| Heavy Atoms | 32 |
| Complexity | 436.0 |
| SMILES | C1=CC(=CC=C1C(=O)NCCCN(CCCNCCCNCCCCNCCCN)O)O |
| InChIKey | ICSMWVXZVJFMRP-UHFFFAOYSA-N |
Chemical Property Profile of Agelenotoxin 452
Property Insights of Agelenotoxin 452
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Agelenotoxin 452. The TPSA of 135.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelenotoxin 452. Following Lipinski's Rule of Five, Agelenotoxin 452 has 7 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Agelenotoxin 452?
The CAS number of Agelenotoxin 452 is 128549-98-4.
What is the molecular formula of Agelenotoxin 452?
The molecular formula of Agelenotoxin 452 is C23H44N6O3.
What is the molecular weight of Agelenotoxin 452?
The molecular weight of Agelenotoxin 452 is 452.3475 g/mol.
Where can I buy Agelenotoxin 452?
You can request a quote for Agelenotoxin 452 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Agelenotoxin 452?
Yes, CoreyChem provides custom synthesis services for Agelenotoxin 452 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.