Amaninamide, deoxy-ile(3)-ala(7)-
TL;DR: Amaninamide, deoxy-ile(3)-ala(7)- (CAS 78887-12-4) is a chemical compound with molecular formula C40H56N10O10S and molecular weight 868.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[13,34-di(butan-2-yl)-8-hydroxy-31-methyl-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide
Also Known As: Amaninamide, deoxy-ile(3)-ala(7)-, 3-Deoxy-ile-7-ala-amaninamide, Amaninamide, deoxy-isoleucyl(3)-alanine(7)-, 3-L-Isoleucine-4-(2-mercapto-L-tryptophan)-7-L-alanine-alpha-Amanitin S-deoxide, alpha-Amanitin, 3-L-isoleucine-4-(2-mercapto-L-tryptophan)-7-L-alanine-, S-deoxide
| Molecular Formula | C40H56N10O10S |
|---|---|
| Molecular Weight | 868.39 g/mol |
| LogP | -2.196 |
| Topological Polar Surface Area | 303.12 Ų |
| Hydrogen Bond Donors | 10 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 6 |
| Exact Mass | 868.39014 |
| Heavy Atoms | 61 |
| Complexity | 2044.5638 |
Chemical Identifiers
| CAS Number | 78887-12-4 |
|---|---|
| SMILES | CCC(C)C1C(=O)NC(C(=O)NC2CSC3=C(CC(C(=O)NCC(=O)N1)NC(=O)C(NC(=O)C4CC(CN4C(=O)C(NC2=O)CC(=O)N)O)C(C)CC)C5=CC=CC=C5N3)C |
Product Overview
Amaninamide, deoxy-ile(3)-ala(7)- (CAS 78887-12-4), with molecular formula C40H56N10O10S and molecular weight 868.39 g/mol. IUPAC: 2-[13,34-di(butan-2-yl)-8-hydroxy-31-methyl-2,5,11,14,30,33,36,39-octaoxo-27-thia-3,6,12,15,25,29,32,35,38-nonazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19,21,23-tetraen-4-yl]acetamide.
Chemical Property Profile of Amaninamide, deoxy-ile(3)-ala(7)-
Property Insights of Amaninamide, deoxy-ile(3)-ala(7)-
The XLogP value of -2.196 indicates that Amaninamide, deoxy-ile(3)-ala(7)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 303.12 Ų indicates high polarity, suggesting Amaninamide, deoxy-ile(3)-ala(7)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Amaninamide, deoxy-ile(3)-ala(7)- has 10 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Amaninamide, deoxy-ile(3)-ala(7)-?
The CAS number of Amaninamide, deoxy-ile(3)-ala(7)- is 78887-12-4.
What is the molecular formula of Amaninamide, deoxy-ile(3)-ala(7)-?
The molecular formula of Amaninamide, deoxy-ile(3)-ala(7)- is C40H56N10O10S.
What is the molecular weight of Amaninamide, deoxy-ile(3)-ala(7)-?
The molecular weight of Amaninamide, deoxy-ile(3)-ala(7)- is 868.39 g/mol.
Where can I buy Amaninamide, deoxy-ile(3)-ala(7)-?
You can request a quote for Amaninamide, deoxy-ile(3)-ala(7)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Amaninamide, deoxy-ile(3)-ala(7)-?
Yes, KEHONG BIO provides custom synthesis services for Amaninamide, deoxy-ile(3)-ala(7)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.