(S)-2-benzyloxy-3-methylbutanoic acid
TL;DR: (S)-2-benzyloxy-3-methylbutanoic acid (CAS 56972-71-5) is a chemical compound with molecular formula C12H16O3 and molecular weight 208.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-2-phenylmethoxybutanoic acid
Also Known As: 2-benzyloxy-3-methylbutanoic acid, 3-methyl-2-phenylmethoxybutanoic acid, (S)-2-benzyloxy-3-methylbutanoic acid, 2-(BENZYLOXY)-3-METHYLBUTANOIC ACID
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 56972-71-5 |
|---|---|
| SMILES | CC(C)C(C(=O)O)OCC1=CC=CC=C1 |
| InChIKey | NUKFKPKZNHUBOR-UHFFFAOYSA-N |
Product Overview
(S)-2-benzyloxy-3-methylbutanoic acid (CAS 56972-71-5), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: 3-methyl-2-phenylmethoxybutanoic acid.
Chemical Property Profile of (S)-2-benzyloxy-3-methylbutanoic acid
Property Insights of (S)-2-benzyloxy-3-methylbutanoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-benzyloxy-3-methylbutanoic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (S)-2-benzyloxy-3-methylbutanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-benzyloxy-3-methylbutanoic acid has 1 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 (S)-2-benzyloxy-3-methylbutanoic acid?
The CAS number of (S)-2-benzyloxy-3-methylbutanoic acid is 56972-71-5.
What is the molecular formula of (S)-2-benzyloxy-3-methylbutanoic acid?
The molecular formula of (S)-2-benzyloxy-3-methylbutanoic acid is C12H16O3.
What is the molecular weight of (S)-2-benzyloxy-3-methylbutanoic acid?
The molecular weight of (S)-2-benzyloxy-3-methylbutanoic acid is 208.11 g/mol.
Where can I buy (S)-2-benzyloxy-3-methylbutanoic acid?
You can request a quote for (S)-2-benzyloxy-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-benzyloxy-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-benzyloxy-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.