Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate
TL;DR: Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate (CAS 60040-82-6) 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 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoate
Also Known As: Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate, 2,2 -Ethylenebis(benzoic acid methyl) ester, methyl 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoate, 2,2 -Bibenzyldicarboxylic acid dimethyl ester, METHYL 2-{2-[2-(METHOXYCARBONYL)PHENYL]ETHYL}BENZOATE
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.8 |
| 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 | 343.0 |
Chemical Identifiers
| CAS Number | 60040-82-6 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1CCC2=CC=CC=C2C(=O)OC |
| InChIKey | OOFQERBTJQWPID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate (CAS 60040-82-6), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: methyl 2-[2-(2-methoxycarbonylphenyl)ethyl]benzoate.
Chemical Property Profile of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate
Property Insights of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate
The XLogP value of 3.8 indicates that Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate 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 Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate?
The CAS number of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate is 60040-82-6.
What is the molecular formula of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate?
The molecular formula of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate is C18H18O4.
What is the molecular weight of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate?
The molecular weight of Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate is 298.12 g/mol.
Where can I buy Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate?
You can request a quote for Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2'-(ethane-1,2-diyl)dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.