(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate
TL;DR: (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate (CAS 226717-60-8) is a chemical compound with molecular formula C13H13NO4 and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl)methyl butanoate
Also Known As: BAS 01215722, (1,3-dioxoisoindol-2-yl)methyl butanoate, (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate, (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl butanoate, Butyric acid 1,3-dioxo-1,3-dihydro-isoindol-2-ylmethyl ester
| Molecular Formula | C13H13NO4 |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 1.5834 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.08446 |
| Heavy Atoms | 18 |
| Complexity | 474.46765 |
Chemical Identifiers
| CAS Number | 226717-60-8 |
|---|---|
| SMILES | CCCC(=O)OCN1C(=O)C2=CC=CC=C2C1=O |
Product Overview
(1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate (CAS 226717-60-8), with molecular formula C13H13NO4 and molecular weight 247.08 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl)methyl butanoate.
Chemical Property Profile of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate
Property Insights of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate
The XLogP value of 1.5834 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate. Following Lipinski's Rule of Five, (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate 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-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate?
The CAS number of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate is 226717-60-8.
What is the molecular formula of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate?
The molecular formula of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate is C13H13NO4.
What is the molecular weight of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate?
The molecular weight of (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate is 247.08 g/mol.
Where can I buy (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate?
You can request a quote for (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate?
Yes, KEHONG BIO provides custom synthesis services for (1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl)methyl butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.