Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate
TL;DR: Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate (CAS 300689-77-4) is a chemical compound with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-amino-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: Not Available, Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate, BAS 00095852, 4-(5-amino-1,3-dioxo-1,3-dihydroisoindol-2-yl)benzoic acid methyl ester, methyl 4-(5-amino-1,3-dioxoisoindol-2-yl)benzoate
| Molecular Formula | C16H12N2O4 |
|---|---|
| Molecular Weight | 296.08 g/mol |
| LogP | 1.856 |
| Topological Polar Surface Area | 89.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.0797 |
| Heavy Atoms | 22 |
| Complexity | 796.29315 |
Chemical Identifiers
| CAS Number | 300689-77-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)N |
Product Overview
Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate (CAS 300689-77-4), with molecular formula C16H12N2O4 and molecular weight 296.08 g/mol. IUPAC: methyl 4-(5-amino-1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate
Property Insights of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate
The XLogP value of 1.856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate. The TPSA of 89.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate. Following Lipinski's Rule of Five, Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)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-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate?
The CAS number of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate is 300689-77-4.
What is the molecular formula of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate?
The molecular formula of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate is C16H12N2O4.
What is the molecular weight of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate?
The molecular weight of Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate is 296.08 g/mol.
Where can I buy Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate?
You can request a quote for Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)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-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(5-amino-1,3-dioxoisoindolin-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.