Org 31318
TL;DR: Org 31318 (CAS 128531-64-6) is a chemical compound with molecular formula C56H95N13O21 and molecular weight 1285.6765 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S,5S,8S,11S,14S,17S)-11-(4-aminobutyl)-8-(2-carboxyethyl)-2-[(1R)-1-hydroxyethyl]-5,14-bis(hydroxymethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid
Also Known As: Org 31318, Cyclon(alpha6),C(delta11)-beta-endorphin (6-17), beta-Endorphin (6-17), cyclon(alpha6),C(delta11)-, 2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S,5S,8S,11S,14S,17S)-11-(4-aminobutyl)-8-(2-carboxyethyl)-2-[(1R)-1-hydroxyethyl]-5,14-bis(hydroxymethyl)-3,6,9,12,15,20-hexaoxo-1,4,7,10,13,16-hexazacycloicosane-17-carbonyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid, alpha-Endorphin (sheep), 1-de-L-tyrosine-2-deglycine-3-deglycine-4-de-L-phenylalanine-5-de-L-methionine-11-L-glutamic acid-16a-L-leucine-, cyclic (11-6)-peptide
Technical Specifications
| Molecular Formula | C56H95N13O21 |
| Molecular Weight | 1285.6765 g/mol |
| XLogP | -5.0 |
| Topological Polar Surface Area (TPSA) | 542.0 Ų |
| Hydrogen Bond Donors | 19 |
| Hydrogen Bond Acceptors | 22 |
| Rotatable Bonds | 29 |
| Exact Mass | 1285.6765 Da |
| Heavy Atoms | 90 |
| Complexity | 2520.0 |
| SMILES | C[C@H]([C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)N1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NC(CC(C)C)C(=O)O)CO)CCCCN)CCC(=O)O)CO)O |
| InChIKey | PCSDIGMOOAJPCZ-VJOPWCNCSA-N |
Chemical Property Profile of Org 31318
Property Insights of Org 31318
The XLogP value of -5.0 indicates that Org 31318 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 542.0 Ų indicates high polarity, suggesting Org 31318 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Org 31318 has 19 hydrogen bond donor(s) and 22 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Org 31318?
The CAS number of Org 31318 is 128531-64-6.
What is the molecular formula of Org 31318?
The molecular formula of Org 31318 is C56H95N13O21.
What is the molecular weight of Org 31318?
The molecular weight of Org 31318 is 1285.6765 g/mol.
Where can I buy Org 31318?
You can request a quote for Org 31318 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Org 31318?
Yes, CoreyChem provides custom synthesis services for Org 31318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.