Kassinin
TL;DR: Kassinin (CAS 63968-82-1) is a chemical compound with molecular formula C59H95N15O18S and molecular weight 1333.67 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-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-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Also Known As: KASSININ, 3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-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-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid, H-Asp-Val-Pro-Lys-Ser-Asp-Gln-Phe-Val-Gly-Leu-Met-NH2, 3-amino-4-[[1-[2-[[6-amino-1-[[1-[[1-[[5-amino-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-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-hydroxy-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid, alpha-aspartylvalylprolyllysylseryl-alpha-aspartylglutaminylphenylalanylvalylglycylleucylmethioninamide
Technical Specifications
| Molecular Formula | C59H95N15O18S |
| Molecular Weight | 1333.67 g/mol |
| XLogP | -7.5 |
| Topological Polar Surface Area (TPSA) | 570.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 21 |
| Rotatable Bonds | 43 |
| Exact Mass | 1333.67 Da |
| Heavy Atoms | 93 |
| Complexity | 2590.0 |
| SMILES | CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C2CCCN2C(=O)C(C(C)C)NC(=O)C(CC(=O)O)N |
| InChIKey | NXTPETCPVNEEOP-UHFFFAOYSA-N |
Chemical Property Profile of Kassinin
Property Insights of Kassinin
The XLogP value of -7.5 indicates that Kassinin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 570.0 Ų indicates high polarity, suggesting Kassinin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Kassinin has 17 hydrogen bond donor(s) and 21 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Kassinin?
The CAS number of Kassinin is 63968-82-1.
What is the molecular formula of Kassinin?
The molecular formula of Kassinin is C59H95N15O18S.
What is the molecular weight of Kassinin?
The molecular weight of Kassinin is 1333.67 g/mol.
Where can I buy Kassinin?
You can request a quote for Kassinin directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Kassinin?
Yes, CoreyChem provides custom synthesis services for Kassinin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.