Ilatreotide
TL;DR: Ilatreotide (CAS 119719-11-8) is a chemical compound with molecular formula C61H86N10O20S2 and molecular weight 1342.5461 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-N-[(2R,3R)-1,3-dihydroxybutan-2-yl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-19-[[(2R)-3-phenyl-2-[[(2R,3S,4R,5R)-2,3,5-trihydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methylamino]propanoyl]amino]-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Also Known As: Ilatreotide, ilatreotida, ilatreotidum, Ilatreotide [INN], Sdz CO 611
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C61H86N10O20S2 |
| Molecular Weight | 1342.5461 g/mol |
| XLogP | -2.5 |
| Topological Polar Surface Area (TPSA) | 538.0 Ų |
| Hydrogen Bond Donors | 20 |
| Hydrogen Bond Acceptors | 24 |
| Rotatable Bonds | 23 |
| Exact Mass | 1342.5461 Da |
| Heavy Atoms | 93 |
| Complexity | 2410.0 |
| SMILES | C[C@H]([C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=CC=C4)NC(=O)[C@@H](CC5=CC=CC=C5)NC[C@@]6([C@H]([C@@H]([C@@H](CO6)O)O[C@@H]7[C@@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)O)C(=O)N[C@H](CO)[C@@H](C)O)O |
| InChIKey | FYSDQQZUTAKKQX-CULBQIHKSA-N |
Chemical Property Profile of Ilatreotide
Property Insights of Ilatreotide
The XLogP value of -2.5 indicates that Ilatreotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 538.0 Ų indicates high polarity, suggesting Ilatreotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Ilatreotide has 20 hydrogen bond donor(s) and 24 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Ilatreotide?
The CAS number of Ilatreotide is 119719-11-8.
What is the molecular formula of Ilatreotide?
The molecular formula of Ilatreotide is C61H86N10O20S2.
What is the molecular weight of Ilatreotide?
The molecular weight of Ilatreotide is 1342.5461 g/mol.
Where can I buy Ilatreotide?
You can request a quote for Ilatreotide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ilatreotide?
Yes, CoreyChem provides custom synthesis services for Ilatreotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.