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Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate
TL;DR: Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate (CAS 438528-89-3) is a chemical compound with molecular formula C26H25NO6 and molecular weight 447.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-[(4-ethylphenoxy)methyl]benzoyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate, dimethyl 2-(4-((4-ethylphenoxy)methyl)benzamido)terephthalate, dimethyl 2-[[4-[(4-ethylphenoxy)methyl]benzoyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-[({4-[(4-ethylphenoxy)methyl]phenyl}carbonyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C26H25NO6 |
|---|---|
| Molecular Weight | 447.17 g/mol |
| LogP | 4.6535 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 447.16818 |
| Heavy Atoms | 33 |
| Complexity | 1136.4486 |
Chemical Identifiers
| CAS Number | 438528-89-3 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate (CAS 438528-89-3), with molecular formula C26H25NO6 and molecular weight 447.17 g/mol. IUPAC: dimethyl 2-[[4-[(4-ethylphenoxy)methyl]benzoyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate
Property Insights of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate
The XLogP value of 4.6535 indicates that Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate has 1 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 Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate?
The CAS number of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate is 438528-89-3.
What is the molecular formula of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate?
The molecular formula of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate is C26H25NO6.
What is the molecular weight of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate?
The molecular weight of Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate is 447.17 g/mol.
Where can I buy Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate?
You can request a quote for Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-({4-[(4-ethylphenoxy)methyl]benzoyl}amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.