Benzyl 3-hydroxybutanoate
TL;DR: Benzyl 3-hydroxybutanoate (CAS 88280-53-9) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-hydroxybutanoate
Also Known As: Benzyl 3-hydroxybutanoate, benzyi 3-hydroxybutanoate, Benzyl 3-hydroxyl-butanoate, Benzyl 3-hydroxybutanoate #, BENZYL 3-HYDROXYBUTYRATE
| Molecular Formula | C11H14O3 |
|---|---|
| Molecular Weight | 194.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 194.0943 |
| Heavy Atoms | 14 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 88280-53-9 |
|---|---|
| SMILES | CC(CC(=O)OCC1=CC=CC=C1)O |
| InChIKey | VIQYYDLSPZAIJW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 3-hydroxybutanoate (CAS 88280-53-9), with molecular formula C11H14O3 and molecular weight 194.09 g/mol. IUPAC: benzyl 3-hydroxybutanoate.
Chemical Property Profile of Benzyl 3-hydroxybutanoate
Property Insights of Benzyl 3-hydroxybutanoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 3-hydroxybutanoate. With a topological polar surface area (TPSA) of 46.5 Ų, Benzyl 3-hydroxybutanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 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 3-hydroxybutanoate?
The CAS number of Benzyl 3-hydroxybutanoate is 88280-53-9.
What is the molecular formula of Benzyl 3-hydroxybutanoate?
The molecular formula of Benzyl 3-hydroxybutanoate is C11H14O3.
What is the molecular weight of Benzyl 3-hydroxybutanoate?
The molecular weight of Benzyl 3-hydroxybutanoate is 194.09 g/mol.
Where can I buy Benzyl 3-hydroxybutanoate?
You can request a quote for Benzyl 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 3-hydroxybutanoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-hydroxybutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.