TL;DR: cyclosporin A, MeAla(6)- (CAS 111710-61-3) is a chemical compound with molecular formula C59H105N11O12 and molecular weight 1159.7944 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,6S,9S,12R,15S,18S,21S,24S,30S)-30-ethyl-33-[(E,1R,2R)-1-hydroxy-2-methylhex-4-enyl]-1,4,7,10,12,15,18,19,25,28-decamethyl-6,9,24-tris(2-methylpropyl)-3,21-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacontane-2,5,8,11,14,17,20,23,26,29,32-undecone
Also Known As: Meala-csa, 6-Meala-cyclosporin A, [MeAla]6-Ciclosporin, Cyclosporin A, meala(6)-, [MeAla]6-CsA
| Molecular Formula | C59H105N11O12 |
| Molecular Weight | 1159.7944 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 279.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Exact Mass | 1159.7944 Da |
| Heavy Atoms | 82 |
| Complexity | 2260.0 |
| SMILES | CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N(C(C(=O)N1)[C@@H]([C@H](C)C/C=C/C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)C)C)C(C)C)CC(C)C)C)C |
| InChIKey | GBIWPCXWDSDANU-JYFGSSRXSA-N |
The XLogP value of 6.2 indicates that cyclosporin A, MeAla(6)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 279.0 Ų indicates high polarity, suggesting cyclosporin A, MeAla(6)- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, cyclosporin A, MeAla(6)- has 5 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of cyclosporin A, MeAla(6)- is 111710-61-3.
The molecular formula of cyclosporin A, MeAla(6)- is C59H105N11O12.
The molecular weight of cyclosporin A, MeAla(6)- is 1159.7944 g/mol.
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