![N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide structure](/static/products/139/1397088-66-2.webp)
N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide
TL;DR: N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide (CAS 1397088-66-2) is a chemical compound with molecular formula C25H32FN5O6S and molecular weight 549.20575 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[2-[[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide
Also Known As: N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide, N-(2-((1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl)amino)-2-oxoethyl)-2-(2-amino-3-(4-hydroxyphenyl)propanamido)-4-(methylsulfinyl)butanamide, N-[2-[[1-amino-3-(4-fluorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanamide
Technical Specifications
| Molecular Formula | C25H32FN5O6S |
| Molecular Weight | 549.20575 g/mol |
| XLogP | -1.3 |
| Topological Polar Surface Area (TPSA) | 213.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 549.20575 Da |
| Heavy Atoms | 38 |
| Complexity | 833.0 |
| SMILES | CS(=O)CCC(C(=O)NCC(=O)NC(CC1=CC=C(C=C1)F)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)N |
| InChIKey | PPPIQFCACVAEFF-UHFFFAOYSA-N |
Chemical Property Profile of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide
Property Insights of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide
The XLogP value of -1.3 indicates that N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 213.0 Ų indicates high polarity, suggesting N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide?
The CAS number of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide is 1397088-66-2.
What is the molecular formula of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide?
The molecular formula of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide is C25H32FN5O6S.
What is the molecular weight of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide?
The molecular weight of N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide is 549.20575 g/mol.
Where can I buy N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide?
You can request a quote for N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide?
Yes, CoreyChem provides custom synthesis services for N-[4-(methylsulfinyl)-2-(tyrosylamino)butanoyl]glycyl-4-fluorophenylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.