(2S)-3-methyl-2-(phenylformamido)butanoic acid
TL;DR: (2S)-3-methyl-2-(phenylformamido)butanoic acid (CAS 80394-38-3) is a chemical compound with molecular formula C12H15NO3 and molecular weight 221.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-benzamido-3-methylbutanoic acid
Also Known As: Bz-Val-OH, Benzoyl-L-Valine, Valine, N-benzoyl-, N-Benzoylvaline, (S)-2-Benzamido-3-methylbutanoic acid
| Molecular Formula | C12H15NO3 |
|---|---|
| Molecular Weight | 221.11 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 221.1052 |
| Heavy Atoms | 16 |
| Complexity | 257.0 |
Chemical Identifiers
| CAS Number | 80394-38-3 |
|---|---|
| SMILES | CC(C)[C@@H](C(=O)O)NC(=O)C1=CC=CC=C1 |
| InChIKey | MIYQNOPLWKCHED-JTQLQIEISA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2S)-3-methyl-2-(phenylformamido)butanoic acid (CAS 80394-38-3), with molecular formula C12H15NO3 and molecular weight 221.11 g/mol. IUPAC: (2S)-2-benzamido-3-methylbutanoic acid.
Chemical Property Profile of (2S)-3-methyl-2-(phenylformamido)butanoic acid
Property Insights of (2S)-3-methyl-2-(phenylformamido)butanoic acid
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-methyl-2-(phenylformamido)butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-methyl-2-(phenylformamido)butanoic acid. Following Lipinski's Rule of Five, (2S)-3-methyl-2-(phenylformamido)butanoic acid has 2 hydrogen bond donor(s) and 3 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-(phenylformamido)butanoic acid?
The CAS number of (2S)-3-methyl-2-(phenylformamido)butanoic acid is 80394-38-3.
What is the molecular formula of (2S)-3-methyl-2-(phenylformamido)butanoic acid?
The molecular formula of (2S)-3-methyl-2-(phenylformamido)butanoic acid is C12H15NO3.
What is the molecular weight of (2S)-3-methyl-2-(phenylformamido)butanoic acid?
The molecular weight of (2S)-3-methyl-2-(phenylformamido)butanoic acid is 221.11 g/mol.
Where can I buy (2S)-3-methyl-2-(phenylformamido)butanoic acid?
You can request a quote for (2S)-3-methyl-2-(phenylformamido)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-(phenylformamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-methyl-2-(phenylformamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.