Benzyl 2,4,5-trimethoxybenzoate
TL;DR: Benzyl 2,4,5-trimethoxybenzoate (CAS 474928-50-2) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2,4,5-trimethoxybenzoate
Also Known As: benzyl 2,4,5-trimethoxybenzoate, AN-652/43024604
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 3.0694 |
| Topological Polar Surface Area | 53.99 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 636.9976 |
Chemical Identifiers
| CAS Number | 474928-50-2 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)OCC2=CC=CC=C2)OC)OC |
Product Overview
Benzyl 2,4,5-trimethoxybenzoate (CAS 474928-50-2), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: benzyl 2,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzyl 2,4,5-trimethoxybenzoate
Property Insights of Benzyl 2,4,5-trimethoxybenzoate
The XLogP value of 3.0694 indicates that Benzyl 2,4,5-trimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.99 Ų, Benzyl 2,4,5-trimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2,4,5-trimethoxybenzoate has 0 hydrogen bond donor(s) and 5 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 2,4,5-trimethoxybenzoate?
The CAS number of Benzyl 2,4,5-trimethoxybenzoate is 474928-50-2.
What is the molecular formula of Benzyl 2,4,5-trimethoxybenzoate?
The molecular formula of Benzyl 2,4,5-trimethoxybenzoate is C17H18O5.
What is the molecular weight of Benzyl 2,4,5-trimethoxybenzoate?
The molecular weight of Benzyl 2,4,5-trimethoxybenzoate is 302.12 g/mol.
Where can I buy Benzyl 2,4,5-trimethoxybenzoate?
You can request a quote for Benzyl 2,4,5-trimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2,4,5-trimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2,4,5-trimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.