![methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/102/1028059-37-1.png)
methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1028059-37-1) is a chemical compound with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-[(4-chlorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate, methyl 4-(2-(3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl)acetamido)benzoate, METHYL 4-(2-{3-[(4-CHLOROPHENYL)METHYL]-1-METHYL-5-OXO-2-SULFANYLIDENEIMIDAZOLIDIN-4-YL}ACETAMIDO)BENZOATE, methyl 4-[[2-[3-[(4-chlorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C21H20ClN3O4S |
|---|---|
| Molecular Weight | 445.09 g/mol |
| LogP | 3.0829 |
| Topological Polar Surface Area | 78.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 445.0863 |
| Heavy Atoms | 30 |
| Complexity | 978.7509 |
Chemical Identifiers
| CAS Number | 1028059-37-1 |
|---|---|
| SMILES | CN1C(=O)C(N(C1=S)CC2=CC=C(C=C2)Cl)CC(=O)NC3=CC=C(C=C3)C(=O)OC |
Product Overview
methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1028059-37-1), with molecular formula C21H20ClN3O4S and molecular weight 445.09 g/mol. IUPAC: methyl 4-[[2-[3-[(4-chlorophenyl)methyl]-1-methyl-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 3.0829 indicates that methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.95 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate has 1 hydrogen bond donor(s) and 5 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-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 1028059-37-1.
What is the molecular formula of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is C21H20ClN3O4S.
What is the molecular weight of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate is 445.09 g/mol.
Where can I buy methyl 4-({[3-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[3-(4-chlorobenzyl)-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-(4-chlorobenzyl)-1-methyl-5-oxo-2-thioxoimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[3-(4-chlorobenzyl)-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.