(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
TL;DR: (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid (CAS 39864-48-7) is a chemical compound with molecular formula C13H17NO4 and molecular weight 251.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoic acid
Also Known As: (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid, 3-methyl-2-[(phenoxyacetyl)amino]butanoic acid, (2S)-3-methyl-2-[(phenoxyacetyl)amino]butanoic acid, (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoic acid, 996-611-3
| Molecular Formula | C13H17NO4 |
|---|---|
| Molecular Weight | 251.12 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 251.11575 |
| Heavy Atoms | 18 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 39864-48-7 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)COC1=CC=CC=C1 |
| InChIKey | CLSLDFKGBNDDJJ-LBPRGKRZSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid (CAS 39864-48-7), with molecular formula C13H17NO4 and molecular weight 251.12 g/mol. IUPAC: (2S)-3-methyl-2-[(2-phenoxyacetyl)amino]butanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
Property Insights of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid has 2 hydrogen bond donor(s) and 4 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)-3-methyl-2-(2-phenoxyacetamido)butanoic acid?
The CAS number of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid is 39864-48-7.
What is the molecular formula of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid?
The molecular formula of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid is C13H17NO4.
What is the molecular weight of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid?
The molecular weight of (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid is 251.12 g/mol.
Where can I buy (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid?
You can request a quote for (2S)-3-methyl-2-(2-phenoxyacetamido)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)-3-methyl-2-(2-phenoxyacetamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-(2-phenoxyacetamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.