![N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid structure](/static/products/1236/123689-66-7.webp)
N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid
TL;DR: N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid (CAS 123689-66-7) is a chemical compound with molecular formula C23H31N3O3 and molecular weight 397.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-2-(3-phenylpropylamino)propanoyl]propanamide
Also Known As: SC 39566, N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid, (2R)-N-(2,6-Dimethyl-L-tyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid, (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-2-(3-phenylpropylamino)propanoyl]propanamide
| Molecular Formula | C23H31N3O3 |
|---|---|
| Molecular Weight | 397.24 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 397.23654 |
| Heavy Atoms | 29 |
| Complexity | 509.0 |
Chemical Identifiers
| CAS Number | 123689-66-7 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C[C@@H](C(=O)NC(=O)[C@@H](C)NCCCC2=CC=CC=C2)N)C)O |
| InChIKey | MXTDWSHESHEEEY-UTKZUKDTSA-N |
Product Overview
N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid (CAS 123689-66-7), with molecular formula C23H31N3O3 and molecular weight 397.24 g/mol. IUPAC: (2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)-N-[(2R)-2-(3-phenylpropylamino)propanoyl]propanamide.
Chemical Property Profile of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid
Property Insights of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid
The XLogP value of 3.1 indicates that N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid. Following Lipinski's Rule of Five, N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid has 4 hydrogen bond donor(s) and 5 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-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid?
The CAS number of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid is 123689-66-7.
What is the molecular formula of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid?
The molecular formula of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid is C23H31N3O3.
What is the molecular weight of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid?
The molecular weight of N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid is 397.24 g/mol.
Where can I buy N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid?
You can request a quote for N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-Dimethyltyrosyl)-2-[(3-phenylpropyl)amino]propanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.