TL;DR: Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- (CAS 119617-73-1) is a chemical compound with molecular formula C57H76N14O12S2 and molecular weight 1212.5209 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(10R,13S,16S,19S,22S)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-benzyl-22-[(4-hydroxyphenyl)methyl]-12,15,18,21,24-pentaoxo-3-phenyl-7,8-dithia-11,14,17,20,23-pentazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidine-2-carboxamide
Also Known As: Phcadavp, Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-, 1-(1-Mercapto-4-phenylcyclohexaneacetic acid)-argipressin, Arginine vasopressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)-, Vasopressin, 1-(1-mercapto-4-phenylcyclohexaneacetic acid)-8-D-arginine-
| Molecular Formula | C57H76N14O12S2 |
| Molecular Weight | 1212.5209 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 489.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 20 |
| Exact Mass | 1212.5209 Da |
| Heavy Atoms | 85 |
| Complexity | 2370.0 |
| SMILES | C1C[C@H](N(C1)C(=O)[C@@H]2CSSC3(CCC(CC3)C4=CC=CC=C4)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)N)CCC(=O)N)CC5=CC=CC=C5)CC6=CC=C(C=C6)O)C(=O)N[C@H](CCCN=C(N)N)C(=O)NCC(=O)N |
| InChIKey | VQHRAMWIAFEDBU-PWVOCXJBSA-N |
The XLogP value of -1.2 indicates that Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 489.0 Ų indicates high polarity, suggesting Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- has 13 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- is 119617-73-1.
The molecular formula of Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- is C57H76N14O12S2.
The molecular weight of Argipressin, (1-mercapto-4-phenylcyclohexaneacetic acid)(1)- is 1212.5209 g/mol.
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