Benzyl 3-(benzyloxy)benzoate
TL;DR: Benzyl 3-(benzyloxy)benzoate (CAS 54396-39-3) is a chemical compound with molecular formula C21H18O3 and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3-phenylmethoxybenzoate
Also Known As: benzyl 3-(benzyloxy)benzoate, benzyl 3-phenylmethoxybenzoate
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 4.6226 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 782.44885 |
Chemical Identifiers
| CAS Number | 54396-39-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)C(=O)OCC3=CC=CC=C3 |
Product Overview
Benzyl 3-(benzyloxy)benzoate (CAS 54396-39-3), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: benzyl 3-phenylmethoxybenzoate.
Chemical Property Profile of Benzyl 3-(benzyloxy)benzoate
Property Insights of Benzyl 3-(benzyloxy)benzoate
The XLogP value of 4.6226 indicates that Benzyl 3-(benzyloxy)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, Benzyl 3-(benzyloxy)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3-(benzyloxy)benzoate has 0 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-(benzyloxy)benzoate?
The CAS number of Benzyl 3-(benzyloxy)benzoate is 54396-39-3.
What is the molecular formula of Benzyl 3-(benzyloxy)benzoate?
The molecular formula of Benzyl 3-(benzyloxy)benzoate is C21H18O3.
What is the molecular weight of Benzyl 3-(benzyloxy)benzoate?
The molecular weight of Benzyl 3-(benzyloxy)benzoate is 318.13 g/mol.
Where can I buy Benzyl 3-(benzyloxy)benzoate?
You can request a quote for Benzyl 3-(benzyloxy)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3-(benzyloxy)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3-(benzyloxy)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.