3,5-Dibenzyloxybenzoic acid, benzyl ester
TL;DR: 3,5-Dibenzyloxybenzoic acid, benzyl ester (CAS 50513-72-9) is a chemical compound with molecular formula C28H24O4 and molecular weight 424.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,5-bis(phenylmethoxy)benzoate
Also Known As: Terbutaline Impurity 9, benzyl 3,5-bis(phenylmethoxy)benzoate, Benzyl 3,5-bis(benzyloxy)benzoate, Terbutaline Impurity 22, 3,5-Dibenzyloxybenzoic acid, benzyl ester
| Molecular Formula | C28H24O4 |
|---|---|
| Molecular Weight | 424.17 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 424.16745 |
| Heavy Atoms | 32 |
| Complexity | 502.0 |
Chemical Identifiers
| CAS Number | 50513-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC(=CC(=C2)C(=O)OCC3=CC=CC=C3)OCC4=CC=CC=C4 |
| InChIKey | LJXLXTVMPQVSQK-UHFFFAOYSA-N |
Product Overview
3,5-Dibenzyloxybenzoic acid, benzyl ester (CAS 50513-72-9), with molecular formula C28H24O4 and molecular weight 424.17 g/mol. IUPAC: benzyl 3,5-bis(phenylmethoxy)benzoate.
Chemical Property Profile of 3,5-Dibenzyloxybenzoic acid, benzyl ester
Property Insights of 3,5-Dibenzyloxybenzoic acid, benzyl ester
The XLogP value of 6.2 indicates that 3,5-Dibenzyloxybenzoic acid, benzyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.8 Ų, 3,5-Dibenzyloxybenzoic acid, benzyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dibenzyloxybenzoic acid, benzyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,5-Dibenzyloxybenzoic acid, benzyl ester?
The CAS number of 3,5-Dibenzyloxybenzoic acid, benzyl ester is 50513-72-9.
What is the molecular formula of 3,5-Dibenzyloxybenzoic acid, benzyl ester?
The molecular formula of 3,5-Dibenzyloxybenzoic acid, benzyl ester is C28H24O4.
What is the molecular weight of 3,5-Dibenzyloxybenzoic acid, benzyl ester?
The molecular weight of 3,5-Dibenzyloxybenzoic acid, benzyl ester is 424.17 g/mol.
Where can I buy 3,5-Dibenzyloxybenzoic acid, benzyl ester?
You can request a quote for 3,5-Dibenzyloxybenzoic acid, benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dibenzyloxybenzoic acid, benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dibenzyloxybenzoic acid, benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.