(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester
TL;DR: (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester (CAS 95750-89-3) is a chemical compound with molecular formula C14H15NO4 and molecular weight 261.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-(1,3-dioxoisoindol-2-yl)acetate
Also Known As: butyl 2-(1,3-dioxoisoindol-2-yl)acetate, NCI60_005178, butyl 2-(1,3-dioxobenzo[c]azolin-2-yl)acetate, butyl 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetate, (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester
| Molecular Formula | C14H15NO4 |
|---|---|
| Molecular Weight | 261.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 261.1001 |
| Heavy Atoms | 19 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 95750-89-3 |
|---|---|
| SMILES | CCCCOC(=O)CN1C(=O)C2=CC=CC=C2C1=O |
| InChIKey | DDCPIBTYPYGETI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester (CAS 95750-89-3), with molecular formula C14H15NO4 and molecular weight 261.10 g/mol. IUPAC: butyl 2-(1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester
Property Insights of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester. Following Lipinski's Rule of Five, (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester 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 (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester?
The CAS number of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester is 95750-89-3.
What is the molecular formula of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester?
The molecular formula of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester is C14H15NO4.
What is the molecular weight of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester?
The molecular weight of (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester is 261.10 g/mol.
Where can I buy (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester?
You can request a quote for (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dioxo-1,3-dihydro-isoindol-2-yl)-acetic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.