(3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester
TL;DR: (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester (CAS 58265-62-6) is a chemical compound with molecular formula C12H13NO3 and molecular weight 219.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetate
Also Known As: BAS 00226208, ethyl 2-(3-oxoisoindolin-1-yl)acetate, 3-Oxoisoindoline-1-acetic acid ethyl ester, J3.508.800H, ethyl 1,3-dihydro-3-oxo-2H-isoindole-1-acetate
| Molecular Formula | C12H13NO3 |
|---|---|
| Molecular Weight | 219.09 g/mol |
| LogP | 1.4243 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.08954 |
| Heavy Atoms | 16 |
| Complexity | 428.02698 |
Chemical Identifiers
| CAS Number | 58265-62-6 |
|---|---|
| SMILES | CCOC(=O)CC1C2=CC=CC=C2C(=O)N1 |
Product Overview
(3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester (CAS 58265-62-6), with molecular formula C12H13NO3 and molecular weight 219.09 g/mol. IUPAC: ethyl 2-(3-oxo-1,2-dihydroisoindol-1-yl)acetate.
Chemical Property Profile of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester
Property Insights of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester
The XLogP value of 1.4243 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester 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
Frequently Asked Questions
What is the CAS number of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester?
The CAS number of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester is 58265-62-6.
What is the molecular formula of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester?
The molecular formula of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester is C12H13NO3.
What is the molecular weight of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester?
The molecular weight of (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester is 219.09 g/mol.
Where can I buy (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester?
You can request a quote for (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for (3-Oxo-2,3-dihydro-1H-isoindol-1-yl)-acetic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.