![methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/102/1024019-88-2.png)
methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1024019-88-2) is a chemical compound with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, methyl 4-(2-(3-(3,4-dimethoxyphenethyl)-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-OXO-1-PHENYL-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C29H29N3O6S |
|---|---|
| Molecular Weight | 547.18 g/mol |
| LogP | 4.064 |
| Topological Polar Surface Area | 97.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 547.17773 |
| Heavy Atoms | 39 |
| Complexity | 1363.1957 |
Chemical Identifiers
| CAS Number | 1024019-88-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(C(=O)N(C2=S)C3=CC=CC=C3)CC(=O)NC4=CC=C(C=C4)C(=O)OC)OC |
Product Overview
methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1024019-88-2), with molecular formula C29H29N3O6S and molecular weight 547.18 g/mol. IUPAC: methyl 4-[[2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 4.064 indicates that methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.41 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1024019-88-2.
What is the molecular formula of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C29H29N3O6S.
What is the molecular weight of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 547.18 g/mol.
Where can I buy methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-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-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({3-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.