![2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid structure](/static/products/142/1423453-54-6.webp)
2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid
TL;DR: 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid (CAS 1423453-54-6) is a chemical compound with molecular formula C34H47N9O9S2 and molecular weight 789.2938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(3S,6S,12S,20R,23S)-12-(4-aminobutyl)-20-carbamoyl-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,22-hexaoxo-17,18-dithia-1,4,7,10,13,21-hexazabicyclo[21.3.0]hexacosan-6-yl]acetic acid
Also Known As: 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid
Technical Specifications
| Molecular Formula | C34H47N9O9S2 |
| Molecular Weight | 789.2938 g/mol |
| XLogP | -4.1 |
| Topological Polar Surface Area (TPSA) | 339.0 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 9 |
| Exact Mass | 789.2938 Da |
| Heavy Atoms | 54 |
| Complexity | 1390.0 |
| SMILES | C1C[C@H]2C(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=CC=CC=C43)CC(=O)O)CCCCN)C(=O)N |
| InChIKey | HFVSKAZBVLODPN-LROMGURASA-N |
Chemical Property Profile of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid
Property Insights of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid
The XLogP value of -4.1 indicates that 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 339.0 Ų indicates high polarity, suggesting 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid has 9 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid?
The CAS number of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid is 1423453-54-6.
What is the molecular formula of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid?
The molecular formula of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid is C34H47N9O9S2.
What is the molecular weight of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid?
The molecular weight of 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid is 789.2938 g/mol.
Where can I buy 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid?
You can request a quote for 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-((3R,11S,17S,20S,25aS)-20-((1H-indol-3-yl)methyl)-11-(4-aminobutyl)-3-carbamoyl-1,9,12,15,18,21-hexaoxodocosahydro-7H-pyrrolo[2,1-g][1,2]dithia[5,8,11,14,17,20]hexaazacyclotricosin-17-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.