TL;DR: Jmv 236 (CAS 113137-57-8) is a chemical compound with molecular formula C56H74N10O18S and molecular weight 1206.4904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-oxo-4-sulfooxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoic acid
Also Known As: Jmv 236, t-Boc(nle(28,31))-cck (26-33), t-Boc-28,31-nle-cholecystokinin (26-33), Cholecystokinin (26-33), t-boc-nle(28,31)-, Boc-Asp-Tyr(SO3H)-Nle-Gly-Trp-Nle-Asp-Phe-NH2
| Molecular Formula | C56H74N10O18S |
| Molecular Weight | 1206.4904 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 447.0 Ų |
| Hydrogen Bond Donors | 13 |
| Hydrogen Bond Acceptors | 19 |
| Rotatable Bonds | 35 |
| Exact Mass | 1206.4904 Da |
| Heavy Atoms | 85 |
| Complexity | 2410.0 |
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)OS(=O)(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NC(=O)[C@H](CC(=O)O)NC(=O)OC(C)(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)N |
| InChIKey | NPHMIEWTAQTTCZ-JBNHEJHRSA-N |
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Jmv 236. The TPSA of 447.0 Ų indicates high polarity, suggesting Jmv 236 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Jmv 236 has 13 hydrogen bond donor(s) and 19 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Jmv 236 is 113137-57-8.
The molecular formula of Jmv 236 is C56H74N10O18S.
The molecular weight of Jmv 236 is 1206.4904 g/mol.
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