Benzyl mandelate
TL;DR: Benzyl mandelate (CAS 890-98-2) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-hydroxy-2-phenylacetate
Also Known As: Benzylmandelate, Benzyl DL-mandelate, BENZYL MANDELATE, Benzylin, benzyl 2-hydroxy-2-phenylacetate
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 252.0 |
Chemical Identifiers
| CAS Number | 890-98-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C(C2=CC=CC=C2)O |
| InChIKey | JFKWZVQEMSKSBU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl mandelate (CAS 890-98-2), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: benzyl 2-hydroxy-2-phenylacetate.
Chemical Property Profile of Benzyl mandelate
Property Insights of Benzyl mandelate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl mandelate. With a topological polar surface area (TPSA) of 46.5 Ų, Benzyl mandelate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl mandelate 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 mandelate?
The CAS number of Benzyl mandelate is 890-98-2.
What is the molecular formula of Benzyl mandelate?
The molecular formula of Benzyl mandelate is C15H14O3.
What is the molecular weight of Benzyl mandelate?
The molecular weight of Benzyl mandelate is 242.09 g/mol.
Where can I buy Benzyl mandelate?
You can request a quote for Benzyl mandelate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl mandelate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl mandelate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.