TL;DR: Leukotriene C4 (CAS 10-34-4) is a chemical compound with molecular formula C30H47N3O9S and molecular weight 625.3033 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5S,6R,7E,9E,11Z,14Z)-6-[(2R)-2-[[(4S)-4-amino-4-carboxybutanoyl]amino]-3-(carboxymethylamino)-3-oxopropyl]sulfanyl-5-hydroxyicosa-7,9,11,14-tetraenoic acid
Also Known As: leukotriene C4, LTC4, Leukotriene C, Leukotriene C1, Leucotriene C4
| Molecular Formula | C30H47N3O9S |
| Molecular Weight | 625.3033 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 242.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 25 |
| Exact Mass | 625.3033 Da |
| Heavy Atoms | 43 |
| Complexity | 982.0 |
| SMILES | CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)N |
| InChIKey | GWNVDXQDILPJIG-NXOLIXFESA-N |
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Leukotriene C4. The TPSA of 242.0 Ų indicates high polarity, suggesting Leukotriene C4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Leukotriene C4 has 7 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Leukotriene C4 is 10-34-4.
The molecular formula of Leukotriene C4 is C30H47N3O9S.
The molecular weight of Leukotriene C4 is 625.3033 g/mol.
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