Pentagastrin meglumine
TL;DR: Pentagastrin meglumine (CAS 57448-84-7) is a chemical compound with molecular formula C44H66N8O15S and molecular weight 978.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[2-[[(2S)-2-aminopropanoyl]amino]phenyl]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;(2R,3S,4R,5R)-1-(methylamino)hexane-1,2,3,4,5,6-hexol
Also Known As: Pentagastrin meglumine, (3S)-4-[2-[[(2S)-2-aminopropanoyl]amino]phenyl]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;(2R,3S,4R,5R)-1-(methylamino)hexane-1,2,3,4,5,6-hexol, (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;(2R,3R,4R,5S)-6-(methylamino)hexane-1,2,3,4,5-pentol, N-((1,1-Dimethylethoxy)carbonyl)-beta-alanyl-L-tryptophyl-L-methionyl-L-alpha-aspartyl-L-phenyl alaninamide compd. with 1-deoxy-1-(methylamino)-D-glucitol, (3S)-4-[2-[[(2S)-2-aminopropanoyl]amino]phenyl]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid; (2R,3S,4R,5R)-1-(methylamino)hexane-1,2,3,4,5,6-hexol
| Molecular Formula | C44H66N8O15S |
|---|---|
| Molecular Weight | 978.44 g/mol |
| LogP | -1.5639 |
| Topological Polar Surface Area | 384.32 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 25 |
| Exact Mass | 978.4368 |
| Heavy Atoms | 68 |
| Complexity | 2118.5034 |
Chemical Identifiers
| CAS Number | 57448-84-7 |
|---|---|
| SMILES | C[C@@H](C(=O)NC1=CC=CC=C1C(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CCNC(=O)OC(C)(C)C)N.CNC([C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O)O |
Product Overview
Pentagastrin meglumine (CAS 57448-84-7), with molecular formula C44H66N8O15S and molecular weight 978.44 g/mol. IUPAC: (3S)-4-[2-[[(2S)-2-aminopropanoyl]amino]phenyl]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid;(2R,3S,4R,5R)-1-(methylamino)hexane-1,2,3,4,5,6-hexol.
Chemical Property Profile of Pentagastrin meglumine
Property Insights of Pentagastrin meglumine
The XLogP value of -1.5639 indicates that Pentagastrin meglumine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 384.32 Ų indicates high polarity, suggesting Pentagastrin meglumine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Pentagastrin meglumine has 15 hydrogen bond donor(s) and 17 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Pentagastrin meglumine?
The CAS number of Pentagastrin meglumine is 57448-84-7.
What is the molecular formula of Pentagastrin meglumine?
The molecular formula of Pentagastrin meglumine is C44H66N8O15S.
What is the molecular weight of Pentagastrin meglumine?
The molecular weight of Pentagastrin meglumine is 978.44 g/mol.
Where can I buy Pentagastrin meglumine?
You can request a quote for Pentagastrin meglumine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentagastrin meglumine?
Yes, KEHONG BIO provides custom synthesis services for Pentagastrin meglumine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.