Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate
TL;DR: Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate (CAS 28455-59-6) is a chemical compound with molecular formula C21H17IO6 and molecular weight 492.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate
Also Known As: methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate, methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarb, Dimethyl 6-(3-ethoxy-3-oxoprop-1-yn-1-yl)-6'-iodo[1,1'-biphenyl]-2,2'-dicarboxylate
| Molecular Formula | C21H17IO6 |
|---|---|
| Molecular Weight | 492.01 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 492.007 |
| Heavy Atoms | 28 |
| Complexity | 648.0 |
Chemical Identifiers
| CAS Number | 28455-59-6 |
|---|---|
| SMILES | CCOC(=O)C#CC1=C(C(=CC=C1)C(=O)OC)C2=C(C=CC=C2I)C(=O)OC |
| InChIKey | KDLWNIGHFNNPJQ-UHFFFAOYSA-N |
Product Overview
Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate (CAS 28455-59-6), with molecular formula C21H17IO6 and molecular weight 492.01 g/mol. IUPAC: methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate.
Chemical Property Profile of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate
Property Insights of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate
The XLogP value of 4.7 indicates that Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate. Following Lipinski's Rule of Five, Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate has 0 hydrogen bond donor(s) and 6 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 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate?
The CAS number of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate is 28455-59-6.
What is the molecular formula of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate?
The molecular formula of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate is C21H17IO6.
What is the molecular weight of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate?
The molecular weight of Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate is 492.01 g/mol.
Where can I buy Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate?
You can request a quote for Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(3-ethoxy-3-oxoprop-1-ynyl)-2-(2-iodo-6-methoxycarbonylphenyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.