![methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate structure](/static/products/1042/1042697-21-1.webp)
methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate
TL;DR: methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate (CAS 1042697-21-1) is a chemical compound with molecular formula C27H23N3O7 and molecular weight 501.1536 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
Also Known As: methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate, METHYL 4-({2-[3-(1,3-BENZODIOXOL-5-YLMETHYL)-2,5-DIOXO-1-PHENYL-4-IMIDAZOLIDINYL]ACETYL}AMINO)BENZOATE, methyl 4-(2-(3-(benzo[d][1,3]dioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl)acetamido)benzoate, methyl 4-[[2-[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
Technical Specifications
| Molecular Formula | C27H23N3O7 |
| Molecular Weight | 501.1536 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 501.1536 Da |
| Heavy Atoms | 37 |
| Complexity | 868.0 |
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=O)N2CC3=CC4=C(C=C3)OCO4)C5=CC=CC=C5 |
| InChIKey | VZMCOWAOUATIPC-UHFFFAOYSA-N |
Chemical Property Profile of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate
Property Insights of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-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
What is the CAS number of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate is 1042697-21-1.
What is the molecular formula of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate is C27H23N3O7.
What is the molecular weight of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate is 501.1536 g/mol.
Where can I buy methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate?
Yes, CoreyChem provides custom synthesis services for methyl 4-({[3-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl}amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.