![Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate structure](/static/products/4304/430454-40-3.webp)
Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate
TL;DR: Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate (CAS 430454-40-3) is a chemical compound with molecular formula C27H25NO6 and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[1-(4-ethoxycarbonylphenyl)-3-(2-methylphenoxy)-4-oxoazetidin-2-yl]benzoate
Also Known As: A2647/0112781, ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate, ethyl 4-(2-(4-(methoxycarbonyl)phenyl)-4-oxo-3-(o-tolyloxy)azetidin-1-yl)benzoate, methyl 4-[1-(4-ethoxycarbonylphenyl)-3-(2-methylphenoxy)-4-oxoazetidin-2-yl]benzoate, methyl 4-{1-[4-(ethoxycarbonyl)phenyl]-3-(2-methylphenoxy)-4-oxoazetidin-2-yl} benzoate
| Molecular Formula | C27H25NO6 |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 4.49382 |
| Topological Polar Surface Area | 82.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.16818 |
| Heavy Atoms | 34 |
| Complexity | 1202.5498 |
Chemical Identifiers
| CAS Number | 430454-40-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)N2C(C(C2=O)OC3=CC=CC=C3C)C4=CC=C(C=C4)C(=O)OC |
Product Overview
Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate (CAS 430454-40-3), with molecular formula C27H25NO6 and molecular weight 459.17 g/mol. IUPAC: methyl 4-[1-(4-ethoxycarbonylphenyl)-3-(2-methylphenoxy)-4-oxoazetidin-2-yl]benzoate.
Chemical Property Profile of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate
Property Insights of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate
The XLogP value of 4.49382 indicates that Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.14 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate. Following Lipinski's Rule of Five, Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate 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 Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate?
The CAS number of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate is 430454-40-3.
What is the molecular formula of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate?
The molecular formula of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate is C27H25NO6.
What is the molecular weight of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate?
The molecular weight of Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate is 459.17 g/mol.
Where can I buy Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate?
You can request a quote for Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-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 Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl methyl 4,4'-[3-(2-methylphenoxy)-4-oxoazetidine-1,2-diyl]dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.