![Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate structure](/static/products/970/970-93-4.png)
Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
TL;DR: Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate (CAS 970-93-4) is a chemical compound with molecular formula C18H14O4 and molecular weight 294.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
Also Known As: methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate, Dimethyl 2,2'-(ethyne-1,2-diyl)dibenzoate, 2,2 -Ethynylenedibenzoic acid dimethyl ester, methyl 2-{[2-(methoxycarbonyl)phenyl]ethynyl}benzoate, 2,2 -Ethynylenebis(benzoic acid methyl) ester
| Molecular Formula | C18H14O4 |
|---|---|
| Molecular Weight | 294.09 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0892 |
| Heavy Atoms | 22 |
| Complexity | 430.0 |
Chemical Identifiers
| CAS Number | 970-93-4 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C#CC2=CC=CC=C2C(=O)OC |
| InChIKey | WOWOJPPNAHPPNE-UHFFFAOYSA-N |
Product Overview
Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate (CAS 970-93-4), with molecular formula C18H14O4 and molecular weight 294.09 g/mol. IUPAC: methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate.
Chemical Property Profile of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
Property Insights of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate
The XLogP value of 3.6 indicates that Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]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, Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]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 Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate?
The CAS number of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate is 970-93-4.
What is the molecular formula of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate?
The molecular formula of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate is C18H14O4.
What is the molecular weight of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate?
The molecular weight of Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate is 294.09 g/mol.
Where can I buy Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate?
You can request a quote for Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[2-(2-methoxycarbonylphenyl)ethynyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.