![methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate structure](/static/products/103/1031765-13-5.png)
methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
TL;DR: methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1031765-13-5) is a chemical compound with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[3-(3-morpholin-4-ylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate, methyl 4-(2-(3-(3-morpholinopropyl)-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[3-(3-morpholin-4-ylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate
| Molecular Formula | C26H30N4O5S |
|---|---|
| Molecular Weight | 510.19 g/mol |
| LogP | 2.5264 |
| Topological Polar Surface Area | 91.42 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 510.1937 |
| Heavy Atoms | 36 |
| Complexity | 1089.2732 |
Chemical Identifiers
| CAS Number | 1031765-13-5 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCCN3CCOCC3)C4=CC=CC=C4 |
Product Overview
methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate (CAS 1031765-13-5), with molecular formula C26H30N4O5S and molecular weight 510.19 g/mol. IUPAC: methyl 4-[[2-[3-(3-morpholin-4-ylpropyl)-5-oxo-1-phenyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
Property Insights of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate
The XLogP value of 2.5264 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-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-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 4-[({3-[3-(morpholin-4-yl)propyl]-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-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The CAS number of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 1031765-13-5.
What is the molecular formula of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular formula of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is C26H30N4O5S.
What is the molecular weight of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
The molecular weight of methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate is 510.19 g/mol.
Where can I buy methyl 4-[({3-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
You can request a quote for methyl 4-[({3-[3-(morpholin-4-yl)propyl]-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-[3-(morpholin-4-yl)propyl]-5-oxo-1-phenyl-2-thioxoimidazolidin-4-yl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[({3-[3-(morpholin-4-yl)propyl]-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.