Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate
TL;DR: Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate (CAS 690642-44-5) is a chemical compound with molecular formula C18H25N3O5 and molecular weight 363.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
Also Known As: VU0494341-1, F1441-0037, dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate, Dimethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate
| Molecular Formula | C18H25N3O5 |
|---|---|
| Molecular Weight | 363.18 g/mol |
| LogP | 0.8358 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.1794 |
| Heavy Atoms | 26 |
| Complexity | 668.79047 |
Chemical Identifiers
| CAS Number | 690642-44-5 |
|---|---|
| SMILES | CCN1CCN(CC1)CC(=O)NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC |
Product Overview
Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate (CAS 690642-44-5), with molecular formula C18H25N3O5 and molecular weight 363.18 g/mol. IUPAC: dimethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzene-1,4-dicarboxylate.
Chemical Property Profile of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate
Property Insights of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate
The XLogP value of 0.8358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate. Following Lipinski's Rule of Five, Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate has 1 hydrogen bond donor(s) and 7 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-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate?
The CAS number of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate is 690642-44-5.
What is the molecular formula of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate?
The molecular formula of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate is C18H25N3O5.
What is the molecular weight of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate?
The molecular weight of Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate is 363.18 g/mol.
Where can I buy Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate?
You can request a quote for Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)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-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(2-(4-ethylpiperazin-1-yl)acetamido)terephthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.