2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
TL;DR: 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 351465-76-4) is a chemical compound with molecular formula C16H18BrNO5 and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butoxyethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
Also Known As: 2-butoxyethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate, 2-butoxyethyl 2-(5-bromo-1,3-dioxoisoindolin-2-yl)acetate, 2-butoxyethyl 2-(5-bromo-1,3-dioxobenzo[c]azolin-2-yl)acetate, 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
| Molecular Formula | C16H18BrNO5 |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 2.405 |
| Topological Polar Surface Area | 72.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 383.03683 |
| Heavy Atoms | 23 |
| Complexity | 616.4882 |
Chemical Identifiers
| CAS Number | 351465-76-4 |
|---|---|
| SMILES | CCCCOCCOC(=O)CN1C(=O)C2=C(C1=O)C=C(C=C2)Br |
Product Overview
2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate (CAS 351465-76-4), with molecular formula C16H18BrNO5 and molecular weight 383.04 g/mol. IUPAC: 2-butoxyethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate.
Chemical Property Profile of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Property Insights of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
The XLogP value of 2.405 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate. The TPSA of 72.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate. Following Lipinski's Rule of Five, 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate has 0 hydrogen bond donor(s) and 5 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 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The CAS number of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 351465-76-4.
What is the molecular formula of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular formula of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is C16H18BrNO5.
What is the molecular weight of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
The molecular weight of 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate is 383.04 g/mol.
Where can I buy 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
You can request a quote for 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-butoxyethyl (5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.