C54H85N13O15S
TL;DR: C54H85N13O15S (CAS 69-25-0) is a chemical compound with molecular formula C54H85N13O15S and molecular weight 1187.6008 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
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
Also Known As: ELEDOISIN, Eledoisinum, Eledoisin Acetate, Eledone peptide, Eledoisina
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C54H85N13O15S |
| Molecular Weight | 1187.6008 g/mol |
| XLogP | -3.6 |
| Topological Polar Surface Area (TPSA) | 463.0 Ų |
| Hydrogen Bond Donors | 14 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 36 |
| Exact Mass | 1187.6008 Da |
| Heavy Atoms | 83 |
| Complexity | 2270.0 |
| 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 |
| InChIKey | AYLPVIWBPZMVSH-UHFFFAOYSA-N |
Product Description
Applications: C54H85N13O15S is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C54H85N13O15S (CAS 69-25-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, C54H85N13O15S (CAS 69-25-0) has the molecular formula C54H85N13O15S and a molecular weight of 1187.6 g/mol. It is also known as ELEDOISIN and Eledoisinum.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of C54H85N13O15S
Property Insights of C54H85N13O15S
The XLogP value of -3.6 indicates that C54H85N13O15S is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 463.0 Ų indicates high polarity, suggesting C54H85N13O15S may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C54H85N13O15S has 14 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C54H85N13O15S?
The CAS number of C54H85N13O15S is 69-25-0.
What is the molecular formula of C54H85N13O15S?
The molecular formula of C54H85N13O15S is C54H85N13O15S.
What is the molecular weight of C54H85N13O15S?
The molecular weight of C54H85N13O15S is 1187.6008 g/mol.
What are the applications of C54H85N13O15S?
C54H85N13O15S is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies C54H85N13O15S (CAS 69-25-0) with custom...
Where can I buy C54H85N13O15S?
You can request a quote for C54H85N13O15S directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C54H85N13O15S?
Yes, CoreyChem provides custom synthesis services for C54H85N13O15S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.