methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate
TL;DR: methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate (CAS 109541-75-5) is a chemical compound with molecular formula C13H11NO4 and molecular weight 245.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylate
Also Known As: methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate, AB-131/42301744, methyl 1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylate, Methyl 1-(1,3-dioxoisoindolin-2-yl)cyclopropanecarboxylate, methyl 1-(1,3-dioxobenzo[c]azolidin-2-yl)cyclopropanecarboxylate
| Molecular Formula | C13H11NO4 |
|---|---|
| Molecular Weight | 245.07 g/mol |
| LogP | 0.9882 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.0688 |
| Heavy Atoms | 18 |
| Complexity | 539.1089 |
Chemical Identifiers
| CAS Number | 109541-75-5 |
|---|---|
| SMILES | COC(=O)C1(CC1)N2C(=O)C3=CC=CC=C3C2=O |
Product Overview
methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate (CAS 109541-75-5), with molecular formula C13H11NO4 and molecular weight 245.07 g/mol. IUPAC: methyl 1-(1,3-dioxoisoindol-2-yl)cyclopropane-1-carboxylate.
Chemical Property Profile of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate
Property Insights of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate
The XLogP value of 0.9882 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate. Following Lipinski's Rule of Five, methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate has 0 hydrogen bond donor(s) and 4 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 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate?
The CAS number of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate is 109541-75-5.
What is the molecular formula of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate?
The molecular formula of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate is C13H11NO4.
What is the molecular weight of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate?
The molecular weight of methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate is 245.07 g/mol.
Where can I buy methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate?
You can request a quote for methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)cyclopropanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.