methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate
TL;DR: methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate (CAS 96017-03-7) is a chemical compound with molecular formula C11H11NO3 and molecular weight 205.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-oxo-1H-isoindol-2-yl)acetate
Also Known As: methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate, Bionet2_001559, methyl 2-(3-oxo-1H-isoindol-2-yl)acetate, methyl 2-(1-oxoisoindolin-2-yl)acetate, methyl (1-oxo-1,3-dihydro-2H-isoindol-2-yl)acetate
| Molecular Formula | C11H11NO3 |
|---|---|
| Molecular Weight | 205.07 g/mol |
| LogP | 0.8154 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.0739 |
| Heavy Atoms | 15 |
| Complexity | 414.04898 |
Chemical Identifiers
| CAS Number | 96017-03-7 |
|---|---|
| SMILES | COC(=O)CN1CC2=CC=CC=C2C1=O |
Product Overview
methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate (CAS 96017-03-7), with molecular formula C11H11NO3 and molecular weight 205.07 g/mol. IUPAC: methyl 2-(3-oxo-1H-isoindol-2-yl)acetate.
Chemical Property Profile of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate
Property Insights of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate
The XLogP value of 0.8154 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate. With a topological polar surface area (TPSA) of 46.61 Ų, methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate has 0 hydrogen bond donor(s) and 3 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 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate?
The CAS number of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate is 96017-03-7.
What is the molecular formula of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate?
The molecular formula of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate is C11H11NO3.
What is the molecular weight of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate?
The molecular weight of methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate is 205.07 g/mol.
Where can I buy methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate?
You can request a quote for methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(1-oxo-2,3-dihydro-1H-isoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.