Benzyl 3,4-dimethoxybenzoate
TL;DR: Benzyl 3,4-dimethoxybenzoate (CAS 187988-75-6) is a chemical compound with molecular formula C16H16O4 and molecular weight 272.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 3,4-dimethoxybenzoate
Also Known As: benzyl 3,4-dimethoxybenzoate, Phenylmethyl 3,4-dimethoxybenzoate, 3,4-Dimethoxybenzoic acid benzyl ester, AN-652/42917598
| Molecular Formula | C16H16O4 |
|---|---|
| Molecular Weight | 272.10 g/mol |
| LogP | 3.0608 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.10486 |
| Heavy Atoms | 20 |
| Complexity | 578.28564 |
Chemical Identifiers
| CAS Number | 187988-75-6 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C(=O)OCC2=CC=CC=C2)OC |
Product Overview
Benzyl 3,4-dimethoxybenzoate (CAS 187988-75-6), with molecular formula C16H16O4 and molecular weight 272.10 g/mol. IUPAC: benzyl 3,4-dimethoxybenzoate.
Chemical Property Profile of Benzyl 3,4-dimethoxybenzoate
Property Insights of Benzyl 3,4-dimethoxybenzoate
The XLogP value of 3.0608 indicates that Benzyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Benzyl 3,4-dimethoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 3,4-dimethoxybenzoate has 0 hydrogen bond donor(s) and 4 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 3,4-dimethoxybenzoate?
The CAS number of Benzyl 3,4-dimethoxybenzoate is 187988-75-6.
What is the molecular formula of Benzyl 3,4-dimethoxybenzoate?
The molecular formula of Benzyl 3,4-dimethoxybenzoate is C16H16O4.
What is the molecular weight of Benzyl 3,4-dimethoxybenzoate?
The molecular weight of Benzyl 3,4-dimethoxybenzoate is 272.10 g/mol.
Where can I buy Benzyl 3,4-dimethoxybenzoate?
You can request a quote for Benzyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.