TL;DR: Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- (CAS 15830-78-1) is a chemical compound with molecular formula C45H63N15O11S2 and molecular weight 1053.4272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-benzyl-6,9,12,15,18-pentaoxo-16-(pyridin-3-ylmethyl)-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Also Known As: d(D-3-Pal)VP, d[D-3-Pal2]AVP, 1-Deamino-3-(3'-pyridyl)-2-ala-argipressin, Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)-, Argipressin, 1-deamino-3-(3'-pyridyl)alanine(2)-
| Molecular Formula | C45H63N15O11S2 |
| Molecular Weight | 1053.4272 g/mol |
| XLogP | -4.7 |
| Topological Polar Surface Area (TPSA) | 481.0 Ų |
| Hydrogen Bond Donors | 12 |
| Hydrogen Bond Acceptors | 15 |
| Rotatable Bonds | 19 |
| Exact Mass | 1053.4272 Da |
| Heavy Atoms | 73 |
| Complexity | 2010.0 |
| SMILES | C1CC(N(C1)C(=O)C2CSSCCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CN=CC=C4)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)N |
| InChIKey | KEAHYTRPVNOHKL-UHFFFAOYSA-N |
The XLogP value of -4.7 indicates that Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 481.0 Ų indicates high polarity, suggesting Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- has 12 hydrogen bond donor(s) and 15 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- is 15830-78-1.
The molecular formula of Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- is C45H63N15O11S2.
The molecular weight of Argipressin, 1-deamino-3-(3'-pyridyl)-ala(2)- is 1053.4272 g/mol.
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