Pentetreotide
TL;DR: Pentetreotide (CAS 138661-02-6) is a chemical compound with molecular formula C63H87N13O19S2 and molecular weight 1393.5682 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[2-[[2-[[(2R)-1-[[(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-16-benzyl-4-[[(2R,3R)-1,3-dihydroxybutan-2-yl]carbamoyl]-7-[(1R)-1-hydroxyethyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-(carboxymethyl)amino]ethyl-[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid
Also Known As: Pentetreotide, Pentetoreotide, pentetreotidum, DTPA-octreotide, Pentetreotida
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C63H87N13O19S2 |
| Molecular Weight | 1393.5682 g/mol |
| XLogP | -9.4 |
| Topological Polar Surface Area (TPSA) | 545.0 Ų |
| Hydrogen Bond Donors | 17 |
| Hydrogen Bond Acceptors | 25 |
| Rotatable Bonds | 34 |
| Exact Mass | 1393.5682 Da |
| Heavy Atoms | 97 |
| Complexity | 2590.0 |
| 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(=O)CN(CCN(CCN(CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)N[C@H](CO)[C@@H](C)O)O |
| InChIKey | CNLWNYCFDMAZCB-HUVROIHYSA-N |
Chemical Property Profile of Pentetreotide
Property Insights of Pentetreotide
The XLogP value of -9.4 indicates that Pentetreotide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 545.0 Ų indicates high polarity, suggesting Pentetreotide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentetreotide has 17 hydrogen bond donor(s) and 25 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Pentetreotide?
The CAS number of Pentetreotide is 138661-02-6.
What is the molecular formula of Pentetreotide?
The molecular formula of Pentetreotide is C63H87N13O19S2.
What is the molecular weight of Pentetreotide?
The molecular weight of Pentetreotide is 1393.5682 g/mol.
Where can I buy Pentetreotide?
You can request a quote for Pentetreotide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentetreotide?
Yes, CoreyChem provides custom synthesis services for Pentetreotide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.