Benzyl 2-methyl-3-hydroxybutanoate
TL;DR: Benzyl 2-methyl-3-hydroxybutanoate (CAS 37526-94-6) 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.
benzyl 3-hydroxy-2-methylbutanoate
Also Known As: benzyl 2-methyl-3-hydroxybutanoate, benzyl 3-hydroxy-2-methylbutanoate, Benzyl-3-hydroxy-2-methylbutyrat
| Molecular Formula | C12H16O3 |
|---|---|
| Molecular Weight | 208.11 g/mol |
| LogP | 1.7467 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 208.10994 |
| Heavy Atoms | 15 |
| Complexity | 305.90308 |
Chemical Identifiers
| CAS Number | 37526-94-6 |
|---|---|
| SMILES | CC(C(C)O)C(=O)OCC1=CC=CC=C1 |
Product Overview
Benzyl 2-methyl-3-hydroxybutanoate (CAS 37526-94-6), with molecular formula C12H16O3 and molecular weight 208.11 g/mol. IUPAC: benzyl 3-hydroxy-2-methylbutanoate.
Chemical Property Profile of Benzyl 2-methyl-3-hydroxybutanoate
Property Insights of Benzyl 2-methyl-3-hydroxybutanoate
The XLogP value of 1.7467 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 2-methyl-3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.53 Ų, Benzyl 2-methyl-3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-methyl-3-hydroxybutanoate 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 Benzyl 2-methyl-3-hydroxybutanoate?
The CAS number of Benzyl 2-methyl-3-hydroxybutanoate is 37526-94-6.
What is the molecular formula of Benzyl 2-methyl-3-hydroxybutanoate?
The molecular formula of Benzyl 2-methyl-3-hydroxybutanoate is C12H16O3.
What is the molecular weight of Benzyl 2-methyl-3-hydroxybutanoate?
The molecular weight of Benzyl 2-methyl-3-hydroxybutanoate is 208.11 g/mol.
Where can I buy Benzyl 2-methyl-3-hydroxybutanoate?
You can request a quote for Benzyl 2-methyl-3-hydroxybutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-methyl-3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-methyl-3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.