Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester
TL;DR: Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester (CAS 56442-22-9) 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 4-phenylmethoxybenzoate
Also Known As: Benzyl p-(benzyloxy)benzoate, benzyl 4-(benzyloxy)benzoate, BENZYL 4-BENZYLOXYBENZOATE, benzyl 4-phenylmethoxybenzoate, benzyl p-benzyloxybenzoate
| Molecular Formula | C21H18O3 |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.12558 |
| Heavy Atoms | 24 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 56442-22-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=C(C=C2)C(=O)OCC3=CC=CC=C3 |
| InChIKey | BPLKDVGMXNZCQO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester (CAS 56442-22-9), with molecular formula C21H18O3 and molecular weight 318.13 g/mol. IUPAC: benzyl 4-phenylmethoxybenzoate.
Chemical Property Profile of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester
Property Insights of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester
The XLogP value of 5.4 indicates that Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester?
The CAS number of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester is 56442-22-9.
What is the molecular formula of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester?
The molecular formula of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester is C21H18O3.
What is the molecular weight of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester?
The molecular weight of Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester is 318.13 g/mol.
Where can I buy Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester?
You can request a quote for Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-(phenylmethoxy)-, phenylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.