N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate
TL;DR: N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate (CAS 116560-97-5) is a chemical compound with molecular formula C32H36N4O7 and molecular weight 588.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
Also Known As: Cfp-aaf-pab, Cpp-AAF-pAb, CFPAAF-pAB, N-(1-Carboxy-3-phenylpropyl)-ala-ala-phe-p-aminobenzoate, 4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid
| Molecular Formula | C32H36N4O7 |
|---|---|
| Molecular Weight | 588.26 g/mol |
| LogP | 2.6196 |
| Topological Polar Surface Area | 173.93 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 15 |
| Exact Mass | 588.2584 |
| Heavy Atoms | 43 |
| Complexity | 1398.2333 |
Chemical Identifiers
| CAS Number | 116560-97-5 |
|---|---|
| SMILES | C[C@@H](C(=O)N[C@@H](C)C(=O)NC(=O)[C@H](CC1=CC=CC=C1)NC2=CC=C(C=C2)C(=O)O)NC(CCC3=CC=CC=C3)C(=O)O |
Product Overview
N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate (CAS 116560-97-5), with molecular formula C32H36N4O7 and molecular weight 588.26 g/mol. IUPAC: 4-[[(2S)-1-[[(2S)-2-[[(2S)-2-[(1-carboxy-3-phenylpropyl)amino]propanoyl]amino]propanoyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]benzoic acid.
Chemical Property Profile of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate
Property Insights of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate
The XLogP value of 2.6196 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate. The TPSA of 173.93 Ų indicates high polarity, suggesting N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate has 6 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate?
The CAS number of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate is 116560-97-5.
What is the molecular formula of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate?
The molecular formula of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate is C32H36N4O7.
What is the molecular weight of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate?
The molecular weight of N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate is 588.26 g/mol.
Where can I buy N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate?
You can request a quote for N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for N-(1-carboxy-3-phenylpropyl)-alanyl-alanyl-phenylalanine-4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.