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Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate
TL;DR: Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate (CAS 402729-19-5) is a chemical compound with molecular formula C24H20ClNO6 and molecular weight 453.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]benzene-1,4-dicarboxylate
Also Known As: dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate, dimethyl 2-(4-((4-chlorophenoxy)methyl)benzamido)terephthalate, dimethyl 2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]benzene-1,4-dicarboxylate, dimethyl 2-[({4-[(4-chlorophenoxy)methyl]phenyl}carbonyl)amino]benzene-1,4-dicarboxylate
| Molecular Formula | C24H20ClNO6 |
|---|---|
| Molecular Weight | 453.10 g/mol |
| LogP | 4.7445 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 453.0979 |
| Heavy Atoms | 32 |
| Complexity | 1126.2313 |
Chemical Identifiers
| CAS Number | 402729-19-5 |
|---|---|
| SMILES | COC(=O)C1=CC(=C(C=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)COC3=CC=C(C=C3)Cl |
Product Overview
Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate (CAS 402729-19-5), with molecular formula C24H20ClNO6 and molecular weight 453.10 g/mol. IUPAC: dimethyl 2-[[4-[(4-chlorophenoxy)methyl]benzoyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate
Property Insights of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate
The XLogP value of 4.7445 indicates that Dimethyl 2-({4-[(4-chlorophenoxy)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-chlorophenoxy)methyl]benzoyl}amino)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-({4-[(4-chlorophenoxy)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-chlorophenoxy)methyl]benzoyl}amino)terephthalate?
The CAS number of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate is 402729-19-5.
What is the molecular formula of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate?
The molecular formula of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate is C24H20ClNO6.
What is the molecular weight of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate?
The molecular weight of Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate is 453.10 g/mol.
Where can I buy Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate?
You can request a quote for Dimethyl 2-({4-[(4-chlorophenoxy)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-chlorophenoxy)methyl]benzoyl}amino)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-({4-[(4-chlorophenoxy)methyl]benzoyl}amino)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.