Eledoisin perfluoroacetate
TL;DR: Eledoisin perfluoroacetate (CAS 39877-24-2) is a chemical compound with molecular formula C56H86F3N13O17S and molecular weight 1301.59 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
Also Known As: Eledoisin perfluoroacetate, EINECS 254-665-9, 3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-3-[1-[[1-[[1-[[1-[(1-carbamoyl-3-methylsulfanyl-propyl)carbamoyl]-3-methyl-butyl]carbamoylmethylcarbamoyl]-2-methyl-butyl]carbamoyl]-, 3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid; 2,2,2-trifluoroacetic acid, 3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid
| Molecular Formula | C56H86F3N13O17S |
|---|---|
| Molecular Weight | 1301.59 g/mol |
| LogP | -2.9269 |
| Topological Polar Surface Area | 475.25 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 36 |
| Exact Mass | 1301.5938 |
| Heavy Atoms | 90 |
| Complexity | 2661.852 |
Chemical Identifiers
| CAS Number | 39877-24-2 |
|---|---|
| SMILES | CCC(C)C(C(=O)NCC(=O)NC(CC(C)C)C(=O)NC(CCSC)C(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CO)NC(=O)C2CCCN2C(=O)C3CCC(=O)N3.C(=O)(C(F)(F)F)O |
Product Overview
Eledoisin perfluoroacetate (CAS 39877-24-2), with molecular formula C56H86F3N13O17S and molecular weight 1301.59 g/mol. IUPAC: 3-[[6-amino-2-[[3-hydroxy-2-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid.
Chemical Property Profile of Eledoisin perfluoroacetate
Property Insights of Eledoisin perfluoroacetate
The XLogP value of -2.9269 indicates that Eledoisin perfluoroacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 475.25 Ų indicates high polarity, suggesting Eledoisin perfluoroacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Eledoisin perfluoroacetate has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Eledoisin perfluoroacetate?
The CAS number of Eledoisin perfluoroacetate is 39877-24-2.
What is the molecular formula of Eledoisin perfluoroacetate?
The molecular formula of Eledoisin perfluoroacetate is C56H86F3N13O17S.
What is the molecular weight of Eledoisin perfluoroacetate?
The molecular weight of Eledoisin perfluoroacetate is 1301.59 g/mol.
Where can I buy Eledoisin perfluoroacetate?
You can request a quote for Eledoisin perfluoroacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eledoisin perfluoroacetate?
Yes, KEHONG BIO provides custom synthesis services for Eledoisin perfluoroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.