Cholecystokinin hexapeptide
TL;DR: Cholecystokinin hexapeptide (CAS 21163-42-8) is a chemical compound with molecular formula C36H48N8O8S2 and molecular weight 784.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
Also Known As: Cholecystokinin hexapeptide, Met-gly-trp-met-asp-phe-NH2, CCK(28-33), J2.007.457D, Methionyl-glycyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
| Molecular Formula | C36H48N8O8S2 |
|---|---|
| Molecular Weight | 784.30 g/mol |
| LogP | -0.198 |
| Topological Polar Surface Area | 267.7 Ų |
| Hydrogen Bond Donors | 9 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 784.30365 |
| Heavy Atoms | 54 |
| Complexity | 1758.2737 |
Chemical Identifiers
| CAS Number | 21163-42-8 |
|---|---|
| SMILES | CSCC[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)N |
Product Overview
Cholecystokinin hexapeptide (CAS 21163-42-8), with molecular formula C36H48N8O8S2 and molecular weight 784.30 g/mol. IUPAC: (3S)-3-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Cholecystokinin hexapeptide
Property Insights of Cholecystokinin hexapeptide
The XLogP value of -0.198 indicates that Cholecystokinin hexapeptide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 267.7 Ų indicates high polarity, suggesting Cholecystokinin hexapeptide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Cholecystokinin hexapeptide has 9 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Cholecystokinin hexapeptide?
The CAS number of Cholecystokinin hexapeptide is 21163-42-8.
What is the molecular formula of Cholecystokinin hexapeptide?
The molecular formula of Cholecystokinin hexapeptide is C36H48N8O8S2.
What is the molecular weight of Cholecystokinin hexapeptide?
The molecular weight of Cholecystokinin hexapeptide is 784.30 g/mol.
Where can I buy Cholecystokinin hexapeptide?
You can request a quote for Cholecystokinin hexapeptide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cholecystokinin hexapeptide?
Yes, KEHONG BIO provides custom synthesis services for Cholecystokinin hexapeptide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.