![(2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide structure](/static/products/7847/78479-53-5.webp)
(2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
TL;DR: (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CAS 78479-53-5) is a chemical compound with molecular formula C13H20N2O and molecular weight 220.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
Also Known As: (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide, N-[(S)-alpha-Methylbenzyl]-L-valinamide, J2.255.219H, (S)-2-Amino-3-methyl-N-((S)-1-phenylethyl)butanamide, (s)-2-amino-3-methyl-N-[(s)-1phenylethyl]butanamide
| Molecular Formula | C13H20N2O |
|---|---|
| Molecular Weight | 220.16 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.15756 |
| Heavy Atoms | 16 |
| Complexity | 222.0 |
Chemical Identifiers
| CAS Number | 78479-53-5 |
|---|---|
| SMILES | C[C@@H](C1=CC=CC=C1)NC(=O)[C@H](C(C)C)N |
| InChIKey | IBMJEJFJDQFSCM-JQWIXIFHSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide (CAS 78479-53-5), with molecular formula C13H20N2O and molecular weight 220.16 g/mol. IUPAC: (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide.
Chemical Property Profile of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
Property Insights of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide. With a topological polar surface area (TPSA) of 55.1 Ų, (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide has 2 hydrogen bond donor(s) and 2 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)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The CAS number of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide is 78479-53-5.
What is the molecular formula of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The molecular formula of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide is C13H20N2O.
What is the molecular weight of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
The molecular weight of (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide is 220.16 g/mol.
Where can I buy (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
You can request a quote for (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide?
Yes, KEHONG BIO provides custom synthesis services for (2S)-2-amino-3-methyl-N-[(1S)-1-phenylethyl]butanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.