alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
TL;DR: alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- (CAS 79513-32-9) is a chemical compound with molecular formula C51H74N12O18S and molecular weight 1174.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-[6-[[4-(2-amino-2-oxoethyl)-34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexanoylamino]ethylamino]-4-oxobutanoic acid
Also Known As: alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
| Molecular Formula | C51H74N12O18S |
|---|---|
| Molecular Weight | 1174.50 g/mol |
| LogP | -5.0 |
| Topological Polar Surface Area | 485.0 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 20 |
| Exact Mass | 1174.4965 |
| Heavy Atoms | 82 |
| Complexity | 2370.0 |
Chemical Identifiers
| CAS Number | 79513-32-9 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=O)NC2CS(=O)C3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)C(CO)O)C5=C(N3)C=C(C=C5)OCCCCCC(=O)NCCNC(=O)CCC(=O)O |
| InChIKey | PQOAVBITPOJDMU-UHFFFAOYSA-N |
Product Overview
alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- (CAS 79513-32-9), with molecular formula C51H74N12O18S and molecular weight 1174.50 g/mol. IUPAC: 4-[2-[6-[[4-(2-amino-2-oxoethyl)-34-butan-2-yl-13-(3,4-dihydroxybutan-2-yl)-8-hydroxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-22-yl]oxy]hexanoylamino]ethylamino]-4-oxobutanoic acid.
Chemical Property Profile of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
Property Insights of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-
The XLogP value of -5.0 indicates that alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 485.0 Ų indicates high polarity, suggesting alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- has 15 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-?
The CAS number of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- is 79513-32-9.
What is the molecular formula of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-?
The molecular formula of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- is C51H74N12O18S.
What is the molecular weight of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-?
The molecular weight of alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- is 1174.50 g/mol.
Where can I buy alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-?
You can request a quote for alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)-?
Yes, KEHONG BIO provides custom synthesis services for alpha-Amanitin, 4-(6-((6-((2-((3-carboxy-1-oxopropyl)amino)ethyl)amino)-6-oxohexyl)oxy)-2-mercapto-L-tryptophan)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.