![methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/102/1024006-51-6.png)
methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1024006-51-6) is a chemical compound with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, methyl 4-(2-(3-(4-methoxyphenethyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[2-(4-METHOXYPHENYL)ETHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-[[2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C23H25N3O5S |
|---|---|
| Molecular Weight | 455.15 g/mol |
| LogP | 2.4806 |
| Topological Polar Surface Area | 88.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 455.1515 |
| Heavy Atoms | 32 |
| Complexity | 1007.2969 |
Chemical Identifiers
| CAS Number | 1024006-51-6 |
|---|---|
| SMILES | CN1C(=O)C(N(C1=S)CCC2=CC=C(C=C2)OC)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1024006-51-6), with molecular formula C23H25N3O5S and molecular weight 455.15 g/mol. IUPAC: methyl 4-[[2-[3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 2.4806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. The TPSA of 88.18 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate 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 methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1024006-51-6.
What is the molecular formula of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C23H25N3O5S.
What is the molecular weight of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 455.15 g/mol.
Where can I buy methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-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-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({3-[2-(4-methoxyphenyl)ethyl]-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.