Agelenotoxin 448
TL;DR: Agelenotoxin 448 (CAS 128550-00-5) is a chemical compound with molecular formula C23H40N6O3 and molecular weight 448.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide
Also Known As: Agelenotoxin 448, Agel 448, a-Agatoxin AG 448, J1.658.076G, 1H-Indole-3-acetamide,N-[3-[[3-[[4-[(3-aminopropyl)amino]butyl]amino]propyl]hydroxyamino]propyl]-4-hydroxy-
| Molecular Formula | C23H40N6O3 |
|---|---|
| Molecular Weight | 448.32 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 18 |
| Exact Mass | 448.3162 |
| Heavy Atoms | 32 |
| Complexity | 498.0 |
Chemical Identifiers
| CAS Number | 128550-00-5 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=CN2)CC(=O)NCCCN(CCCNCCCCNCCCN)O |
| InChIKey | FSGGDDPNTYEPDY-UHFFFAOYSA-N |
Product Overview
Agelenotoxin 448 (CAS 128550-00-5), with molecular formula C23H40N6O3 and molecular weight 448.32 g/mol. IUPAC: N-[3-[3-[4-(3-aminopropylamino)butylamino]propyl-hydroxyamino]propyl]-2-(4-hydroxy-1H-indol-3-yl)acetamide.
Chemical Property Profile of Agelenotoxin 448
Property Insights of Agelenotoxin 448
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Agelenotoxin 448. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Agelenotoxin 448. Following Lipinski's Rule of Five, Agelenotoxin 448 has 7 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Agelenotoxin 448?
The CAS number of Agelenotoxin 448 is 128550-00-5.
What is the molecular formula of Agelenotoxin 448?
The molecular formula of Agelenotoxin 448 is C23H40N6O3.
What is the molecular weight of Agelenotoxin 448?
The molecular weight of Agelenotoxin 448 is 448.32 g/mol.
Where can I buy Agelenotoxin 448?
You can request a quote for Agelenotoxin 448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Agelenotoxin 448?
Yes, KEHONG BIO provides custom synthesis services for Agelenotoxin 448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.