TL;DR: non-preferred name) (CAS 1397020-10-8) is a chemical compound with molecular formula C48H70N8O12S and molecular weight 982.4834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[[4-(diaminomethylideneamino)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
Also Known As: non-preferred name), 2-[[2-[[4-(diaminomethylideneamino)-2-[[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoyl]amino]butanoyl]amino]-3-methylbutanoyl]amino]-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid, 8,17-bis(3-(tert-butoxy)-3-oxopropyl)-1-(9H-fluoren-9-yl)-11-(2-guanidinoethyl)-14-isopropyl-5-(2-(methylthio)ethyl)-3,6,9,12,15-pentaoxo-2-oxa-4,7,10,13,16-pentaazaoctadecan-18-oic acid, 8,17-bis(3-tert-butoxy-3-oxopropyl)-11-(2-carbamimidamidoethyl)-1-(9H-fluoren-9-yl)-5-[2-(methylsulfanyl)ethyl]-3,6,9,12,15-pentaoxo-14-(propan-2-yl)-2-oxa-4,7,10,13,16-pentaazaoctadecan-18-oic acid (
| Molecular Formula | C48H70N8O12S |
| Molecular Weight | 982.4834 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 334.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 30 |
| Exact Mass | 982.4834 Da |
| Heavy Atoms | 69 |
| Complexity | 1780.0 |
| SMILES | CC(C)C(C(=O)NC(CCC(=O)OC(C)(C)C)C(=O)O)NC(=O)C(CCN=C(N)N)NC(=O)C(CCC(=O)OC(C)(C)C)NC(=O)C(CCSC)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 |
| InChIKey | ZVUSEYQFKUIJED-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that non-preferred name) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 334.0 Ų indicates high polarity, suggesting non-preferred name) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, non-preferred name) has 8 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of non-preferred name) is 1397020-10-8.
The molecular formula of non-preferred name) is C48H70N8O12S.
The molecular weight of non-preferred name) is 982.4834 g/mol.
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