N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
TL;DR: N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine (CAS 101222-71-3) is a chemical compound with molecular formula C23H27N3O6 and molecular weight 441.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-4-amino-3-[[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid
Also Known As: N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE, HPI, N-[(1S)-1-carboxy-3-phenylpropyl]-L-phenylalanyl-L-alpha-asparagine, (2S)-2-(((1S)-1-(((1S)-1-carbamoyl-2-carboxyethyl)carbamoyl)-2-phenylethyl)amino)-4-phenylbutanoic acid, (2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-2-carboxyethyl]carbamoyl}-2-phenylethyl]amino}-4-phenylbutanoic acid
| Molecular Formula | C23H27N3O6 |
|---|---|
| Molecular Weight | 441.19 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 441.18997 |
| Heavy Atoms | 32 |
| Complexity | 644.0 |
Chemical Identifiers
| CAS Number | 101222-71-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC[C@@H](C(=O)O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N |
| InChIKey | FOJUHLDAXGNCIP-FHWLQOOXSA-N |
Product Overview
N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine (CAS 101222-71-3), with molecular formula C23H27N3O6 and molecular weight 441.19 g/mol. IUPAC: (3S)-4-amino-3-[[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-3-phenylpropanoyl]amino]-4-oxobutanoic acid.
Chemical Property Profile of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
Property Insights of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine
The XLogP value of -0.7 indicates that N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.0 Ų indicates high polarity, suggesting N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine has 5 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine?
The CAS number of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine is 101222-71-3.
What is the molecular formula of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine?
The molecular formula of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine is C23H27N3O6.
What is the molecular weight of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine?
The molecular weight of N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine is 441.19 g/mol.
Where can I buy N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine?
You can request a quote for N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine 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)phenylalanyl-alpha-asparagine?
Yes, KEHONG BIO provides custom synthesis services for N-(1-carboxy-3-phenylpropyl)phenylalanyl-alpha-asparagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.