4,4'-Dimethylenebis(methyl benzoate)
TL;DR: 4,4'-Dimethylenebis(methyl benzoate) (CAS 797-21-7) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate
Also Known As: Dimethyl 4,4'-ethylenedibenzoate, Dimethyl 4,4'-(ethane-1,2-diyl)dibenzoate, methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate, 4,4'-DIMETHYLENEBIS(METHYL BENZOATE), 4,4 -Ethylenebis(benzoic acid methyl) ester
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 797-21-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)OC |
| InChIKey | VCKIQSATAZPKJV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Dimethylenebis(methyl benzoate) (CAS 797-21-7), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: methyl 4-[2-(4-methoxycarbonylphenyl)ethyl]benzoate.
Chemical Property Profile of 4,4'-Dimethylenebis(methyl benzoate)
Property Insights of 4,4'-Dimethylenebis(methyl benzoate)
The XLogP value of 4.5 indicates that 4,4'-Dimethylenebis(methyl benzoate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 4,4'-Dimethylenebis(methyl benzoate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-Dimethylenebis(methyl benzoate) 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 4,4'-Dimethylenebis(methyl benzoate)?
The CAS number of 4,4'-Dimethylenebis(methyl benzoate) is 797-21-7.
What is the molecular formula of 4,4'-Dimethylenebis(methyl benzoate)?
The molecular formula of 4,4'-Dimethylenebis(methyl benzoate) is C18H18O4.
What is the molecular weight of 4,4'-Dimethylenebis(methyl benzoate)?
The molecular weight of 4,4'-Dimethylenebis(methyl benzoate) is 298.12 g/mol.
Where can I buy 4,4'-Dimethylenebis(methyl benzoate)?
You can request a quote for 4,4'-Dimethylenebis(methyl benzoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Dimethylenebis(methyl benzoate)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Dimethylenebis(methyl benzoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.