Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate
TL;DR: Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate (CAS 683232-45-3) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(2-methyl-1,3-dioxoisoindol-4-yl)carbamoyl]benzoate
Also Known As: AB00685624-01, F1105-0088, methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate, methyl 4-[(2-methyl-1,3-dioxoisoindol-4-yl)carbamoyl]benzoate, methyl 4-[(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)carbamoyl]benzoate
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.9513 |
| Topological Polar Surface Area | 92.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 902.1825 |
Chemical Identifiers
| CAS Number | 683232-45-3 |
|---|---|
| SMILES | CN1C(=O)C2=C(C1=O)C(=CC=C2)NC(=O)C3=CC=C(C=C3)C(=O)OC |
Product Overview
Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate (CAS 683232-45-3), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: methyl 4-[(2-methyl-1,3-dioxoisoindol-4-yl)carbamoyl]benzoate.
Chemical Property Profile of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate
Property Insights of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate
The XLogP value of 1.9513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate. The TPSA of 92.78 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate. Following Lipinski's Rule of Five, Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)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-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate?
The CAS number of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate is 683232-45-3.
What is the molecular formula of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate?
The molecular formula of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate is C18H14N2O5.
What is the molecular weight of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate?
The molecular weight of Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate is 338.09 g/mol.
Where can I buy Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate?
You can request a quote for Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)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-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-((2-methyl-1,3-dioxoisoindolin-4-yl)carbamoyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.