pentagastrin
TL;DR: pentagastrin (CAS 15686-70-1) is a chemical compound with molecular formula C37H49N7O9S and molecular weight 767.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: pentagastrin, Gastrodiagnost, Petogasrin, Peptavlon, Pentagastrine [INN-French]
| Molecular Formula | C37H49N7O9S |
|---|---|
| Molecular Weight | 767.33 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 276.0 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 23 |
| Exact Mass | 767.33124 |
| Heavy Atoms | 54 |
| Complexity | 1280.0 |
Chemical Identifiers
| CAS Number | 15686-70-1 |
|---|---|
| SMILES | CC(C)COC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N |
| InChIKey | ALXRNCVIQSDJAO-UHFFFAOYSA-N |
Product Overview
pentagastrin (CAS 15686-70-1), with molecular formula C37H49N7O9S and molecular weight 767.33 g/mol. IUPAC: 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of pentagastrin
Property Insights of pentagastrin
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for pentagastrin. The TPSA of 276.0 Ų indicates high polarity, suggesting pentagastrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, pentagastrin has 8 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 pentagastrin?
The CAS number of pentagastrin is 15686-70-1.
What is the molecular formula of pentagastrin?
The molecular formula of pentagastrin is C37H49N7O9S.
What is the molecular weight of pentagastrin?
The molecular weight of pentagastrin is 767.33 g/mol.
Where can I buy pentagastrin?
You can request a quote for pentagastrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for pentagastrin?
Yes, KEHONG BIO provides custom synthesis services for pentagastrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.