(2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid
TL;DR: (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid (CAS 1048008-26-9) is a chemical compound with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid
Also Known As: (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid, L-Asparagine, N2-[3-(1-methylethoxy)propyl]-N-(4-phenoxyphenyl)-, N2-[3-(1-Methylethoxy)propyl]-N-(4-phenoxyphenyl)-L-asparagine, N-(4-Phenoxyphenyl)-N~2~-{3-[(propan-2-yl)oxy]propyl}-L-asparagine, (2S)-3-[(4-phenoxyphenyl)carbamoyl]-2-(3-propan-2-yloxypropylamino)propanoic Acid
| Molecular Formula | C22H28N2O5 |
|---|---|
| Molecular Weight | 400.20 g/mol |
| LogP | 3.6654 |
| Topological Polar Surface Area | 96.89 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 400.19983 |
| Heavy Atoms | 29 |
| Complexity | 762.5319 |
Chemical Identifiers
| CAS Number | 1048008-26-9 |
|---|---|
| SMILES | CC(C)OCCCN[C@@H](CC(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)C(=O)O |
Product Overview
(2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid (CAS 1048008-26-9), with molecular formula C22H28N2O5 and molecular weight 400.20 g/mol. IUPAC: (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid.
Chemical Property Profile of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid
Property Insights of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid
The XLogP value of 3.6654 indicates that (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.89 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid. Following Lipinski's Rule of Five, (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid has 3 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 (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid?
The CAS number of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid is 1048008-26-9.
What is the molecular formula of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid?
The molecular formula of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid is C22H28N2O5.
What is the molecular weight of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid?
The molecular weight of (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid is 400.20 g/mol.
Where can I buy (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid?
You can request a quote for (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-4-oxo-4-(4-phenoxyanilino)-2-(3-propan-2-yloxypropylamino)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.