amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-
TL;DR: amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- (CAS 124818-58-2) is a chemical compound with molecular formula C39H54N10O11S and molecular weight 870.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[34-butan-2-yl-8-hydroxy-13-(3-hydroxybutan-2-yl)-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: Deoxy-OH-ile-amaninamide, Amaninamide, S-deoxy-(gamma-hydroxy-ile(3))-, S-Deoxy-(gamma-hydroxy-3-ile)-amaninamide, Amaninamide, S-deoxy-(gamma-hydroxy-isoleucine(3))-, 3-((R)-4-Hydroxy-L-isoleucine)-4-(2-mercapto-L-tryptophan)-alpha-amanitin S-deoxide
| Molecular Formula | C39H54N10O11S |
|---|---|
| Molecular Weight | 870.37 g/mol |
| LogP | -3.6137 |
| Topological Polar Surface Area | 323.35 Ų |
| Hydrogen Bond Donors | 11 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 870.36945 |
| Heavy Atoms | 61 |
| Complexity | 2044.4757 |
Chemical Identifiers
| CAS Number | 124818-58-2 |
|---|---|
| SMILES | CCC(C)C1C(=O)NCC(=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)C(C)O)C5=CC=CC=C5N3 |
Product Overview
amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- (CAS 124818-58-2), with molecular formula C39H54N10O11S and molecular weight 870.37 g/mol. IUPAC: 2-[34-butan-2-yl-8-hydroxy-13-(3-hydroxybutan-2-yl)-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, S-deoxy-(gamma-hydroxy-Ile(3))-
Property Insights of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-
The XLogP value of -3.6137 indicates that amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 323.35 Ų indicates high polarity, suggesting amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- has 11 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-?
The CAS number of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- is 124818-58-2.
What is the molecular formula of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-?
The molecular formula of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- is C39H54N10O11S.
What is the molecular weight of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-?
The molecular weight of amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- is 870.37 g/mol.
Where can I buy amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-?
You can request a quote for amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))-?
Yes, KEHONG BIO provides custom synthesis services for amaninamide, S-deoxy-(gamma-hydroxy-Ile(3))- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.