TL;DR: Bolton Hunter-cholecystokinin nonapeptide (CAS 117829-67-1) is a chemical compound with molecular formula C55H74N14O17S2 and molecular weight 1266.4797 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-3-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-(4-sulfooxyphenyl)propan-2-yl]amino]-4-oxobutanoic acid
Also Known As: BH-Cck-9, BH-CCK9, Bolton hunter-cholecystokinin nonapeptide, SID:202535682, Caerulein, 1-de(5-oxo-proline)-2-arginine-5-valine-
| Molecular Formula | C55H74N14O17S2 |
| Molecular Weight | 1266.4797 g/mol |
| XLogP | -3.5 |
| Topological Polar Surface Area (TPSA) | 554.0 Ų |
| Hydrogen Bond Donors | 16 |
| Hydrogen Bond Acceptors | 20 |
| Rotatable Bonds | 37 |
| Exact Mass | 1266.4797 Da |
| Heavy Atoms | 88 |
| Complexity | 2540.0 |
| SMILES | CC(C)[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CC=C(C=C4)OS(=O)(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCN=C(N)N)N |
| InChIKey | XABUVDVSEMIDIN-QOHRKOJGSA-N |
The XLogP value of -3.5 indicates that Bolton Hunter-cholecystokinin nonapeptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 554.0 Ų indicates high polarity, suggesting Bolton Hunter-cholecystokinin nonapeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bolton Hunter-cholecystokinin nonapeptide has 16 hydrogen bond donor(s) and 20 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Bolton Hunter-cholecystokinin nonapeptide is 117829-67-1.
The molecular formula of Bolton Hunter-cholecystokinin nonapeptide is C55H74N14O17S2.
The molecular weight of Bolton Hunter-cholecystokinin nonapeptide is 1266.4797 g/mol.
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