Methyl 3-amino-1-oxoisoindole-5-carboxylate
TL;DR: Methyl 3-amino-1-oxoisoindole-5-carboxylate (CAS 127511-08-4) is a chemical compound with molecular formula C10H8N2O3 and molecular weight 204.0535 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3-amino-1-oxoisoindole-5-carboxylate
Also Known As: methyl 3-amino-1-oxoisoindole-5-carboxylate, Methyl 3-amino-1-oxo-1H-isoindole-5-carboxylate, Methyl 3-amino-1-oxo-isoindole-5-carboxylate, Methyl3-amino-1-oxo-1H-isoindole-5-carboxylate, 1H-Isoindole-5-carboxylicacid,3-amino-1-oxo-,methylester(9CI)
Technical Specifications
| Molecular Formula | C10H8N2O3 |
| Molecular Weight | 204.0535 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 81.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 204.0535 Da |
| Heavy Atoms | 15 |
| Complexity | 338.0 |
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N=C2N |
| InChIKey | IYZBOSFSARALPX-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3-amino-1-oxoisoindole-5-carboxylate
Property Insights of Methyl 3-amino-1-oxoisoindole-5-carboxylate
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-amino-1-oxoisoindole-5-carboxylate. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-amino-1-oxoisoindole-5-carboxylate. Following Lipinski's Rule of Five, Methyl 3-amino-1-oxoisoindole-5-carboxylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 3-amino-1-oxoisoindole-5-carboxylate?
The CAS number of Methyl 3-amino-1-oxoisoindole-5-carboxylate is 127511-08-4.
What is the molecular formula of Methyl 3-amino-1-oxoisoindole-5-carboxylate?
The molecular formula of Methyl 3-amino-1-oxoisoindole-5-carboxylate is C10H8N2O3.
What is the molecular weight of Methyl 3-amino-1-oxoisoindole-5-carboxylate?
The molecular weight of Methyl 3-amino-1-oxoisoindole-5-carboxylate is 204.0535 g/mol.
Where can I buy Methyl 3-amino-1-oxoisoindole-5-carboxylate?
You can request a quote for Methyl 3-amino-1-oxoisoindole-5-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3-amino-1-oxoisoindole-5-carboxylate?
Yes, CoreyChem provides custom synthesis services for Methyl 3-amino-1-oxoisoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.