Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
TL;DR: Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide (CAS 5235-21-2) is a chemical compound with molecular formula C34H44N6O8S and molecular weight 696.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid
Also Known As: BOC-Tetragastrin, Boc-CCK-4, Boc-CCK4, BOC-TRP-MET-ASP-PHE-NH2, Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
| Molecular Formula | C34H44N6O8S |
|---|---|
| Molecular Weight | 696.29 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 247.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 19 |
| Exact Mass | 696.2941 |
| Heavy Atoms | 49 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 5235-21-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC(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 |
| InChIKey | DDROKKYSSQPXQO-DUNLCCOXSA-N |
Product Overview
Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide (CAS 5235-21-2), with molecular formula C34H44N6O8S and molecular weight 696.29 g/mol. IUPAC: (3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
Property Insights of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide. The TPSA of 247.0 Ų indicates high polarity, suggesting Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide?
The CAS number of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide is 5235-21-2.
What is the molecular formula of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide?
The molecular formula of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide is C34H44N6O8S.
What is the molecular weight of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide?
The molecular weight of Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide is 696.29 g/mol.
Where can I buy Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide?
You can request a quote for Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide?
Yes, KEHONG BIO provides custom synthesis services for Butyloxycarbonyl-tryptophyl-methionyl-aspartyl-phenylalaninamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.