methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
TL;DR: methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate (CAS 35294-53-2) is a chemical compound with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate
Also Known As: methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate, Methyl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate, Methyl 2-bromo-4-(1,3-dioxoisoindolin-2-yl)butanoate, BB 0260496, methyl 2-bromo-4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)butanoate
| Molecular Formula | C13H12BrNO4 |
|---|---|
| Molecular Weight | 324.99 g/mol |
| LogP | 1.6092 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.99496 |
| Heavy Atoms | 19 |
| Complexity | 508.19968 |
Chemical Identifiers
| CAS Number | 35294-53-2 |
|---|---|
| SMILES | COC(=O)C(CCN1C(=O)C2=CC=CC=C2C1=O)Br |
Product Overview
methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate (CAS 35294-53-2), with molecular formula C13H12BrNO4 and molecular weight 324.99 g/mol. IUPAC: methyl 2-bromo-4-(1,3-dioxoisoindol-2-yl)butanoate.
Chemical Property Profile of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
Property Insights of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
The XLogP value of 1.6092 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate. Following Lipinski's Rule of Five, methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)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 methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The CAS number of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is 35294-53-2.
What is the molecular formula of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The molecular formula of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is C13H12BrNO4.
What is the molecular weight of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
The molecular weight of methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate is 324.99 g/mol.
Where can I buy methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
You can request a quote for methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-bromo-4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.