TL;DR: N-Retinoylleucine (CAS 110769-97-6) is a chemical compound with molecular formula C26H39NO3 and molecular weight 413.293 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[[(2Z,4Z,6Z,8Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenoyl]amino]-4-methylpentanoic acid
Also Known As: N-Retinoylleucine, N-(Retinoyl)-DL-leucine, N-(all-trans-Retinoyl)-DL-leucine, O-ethyl-N-(4-chloro-phenylcarbamimidoyl)-isourea, DL-Leucine, N-(3,7-dimethyl-1-oxo-9-(2,6,6-trimethyl-1-cyclohexen-1-yl)-2,4,6,8-nonatetraenyl)-, (all-E)-
| Molecular Formula | C26H39NO3 |
| Molecular Weight | 413.293 g/mol |
| XLogP | 7.4 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 413.293 Da |
| Heavy Atoms | 30 |
| Complexity | 776.0 |
| SMILES | CC1=C(C(CCC1)(C)C)/C=C\C(=C/C=C\C(=C/C(=O)N[C@@H](CC(C)C)C(=O)O)\C)\C |
| InChIKey | XILISIALPJYAMY-GTCOHCSCSA-N |
The XLogP value of 7.4 indicates that N-Retinoylleucine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Retinoylleucine. Following Lipinski's Rule of Five, N-Retinoylleucine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N-Retinoylleucine is 110769-97-6.
The molecular formula of N-Retinoylleucine is C26H39NO3.
The molecular weight of N-Retinoylleucine is 413.293 g/mol.
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