ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride
TL;DR: ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride (CAS 3644-69-7) is a chemical compound with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1,3-dioxoisoindol-2-yl)ethanimidate
Also Known As: ethyl 2-phthalimidoethanimidate, ethyl 2-(1,3-dioxoisoindol-2-yl)ethanimidate, Ethyl (1Z)-2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidate, ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride
| Molecular Formula | C12H12N2O3 |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.0848 |
| Heavy Atoms | 17 |
| Complexity | 330.0 |
Chemical Identifiers
| CAS Number | 3644-69-7 |
|---|---|
| SMILES | CCOC(=N)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | QCXJDOJJKRLMTE-UHFFFAOYSA-N |
Product Overview
ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride (CAS 3644-69-7), with molecular formula C12H12N2O3 and molecular weight 232.08 g/mol. IUPAC: ethyl 2-(1,3-dioxoisoindol-2-yl)ethanimidate.
Chemical Property Profile of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride
Property Insights of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride. Following Lipinski's Rule of Five, ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride has 1 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 ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride?
The CAS number of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride is 3644-69-7.
What is the molecular formula of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride?
The molecular formula of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride is C12H12N2O3.
What is the molecular weight of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride?
The molecular weight of ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride is 232.08 g/mol.
Where can I buy ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride?
You can request a quote for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethanimidoate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.