![methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/1033/1033585-47-5.webp)
methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1033585-47-5) is a chemical compound with molecular formula C21H28N4O5S and molecular weight 448.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, METHYL 4-({2-[1-ETHYL-3-(2-MORPHOLINOETHYL)-5-OXO-2-THIOXO-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, methyl 4-(2-(1-ethyl-3-(2-morpholinoethyl)-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C21H28N4O5S |
|---|---|
| Molecular Weight | 448.18 g/mol |
| LogP | 0.9516 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.17804 |
| Heavy Atoms | 31 |
| Complexity | 825.5639 |
Chemical Identifiers
| CAS Number | 1033585-47-5 |
|---|---|
| SMILES | CCN1C(=O)C(N(C1=S)CCN2CCOCC2)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1033585-47-5), with molecular formula C21H28N4O5S and molecular weight 448.18 g/mol. IUPAC: methyl 4-[[2-[1-ethyl-3-(2-morpholin-4-ylethyl)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 0.9516 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. The TPSA of 91.42 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate 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 methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1033585-47-5.
What is the molecular formula of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C21H28N4O5S.
What is the molecular weight of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 448.18 g/mol.
Where can I buy methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({1-ethyl-3-[2-(morpholin-4-yl)ethyl]-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.