1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate
TL;DR: 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate (CAS 413594-59-9) is a chemical compound with molecular formula C15H8BrNO4 and molecular weight 344.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1,3-dioxoisoindol-2-yl) 4-bromobenzoate
Also Known As: 1,3-Dioxoisoindolin-2-yl 4-bromobenzoate, (1,3-dioxoisoindol-2-yl) 4-bromobenzoate, J3.637.608B, 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate, 1,3-dioxobenzo[c]azolin-2-yl 4-bromobenzoate
| Molecular Formula | C15H8BrNO4 |
|---|---|
| Molecular Weight | 344.96 g/mol |
| LogP | 2.8171 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 344.96368 |
| Heavy Atoms | 21 |
| Complexity | 719.52386 |
Chemical Identifiers
| CAS Number | 413594-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)N(C2=O)OC(=O)C3=CC=C(C=C3)Br |
Product Overview
1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate (CAS 413594-59-9), with molecular formula C15H8BrNO4 and molecular weight 344.96 g/mol. IUPAC: (1,3-dioxoisoindol-2-yl) 4-bromobenzoate.
Chemical Property Profile of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate
Property Insights of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate
The XLogP value of 2.8171 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate. 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 4-bromobenzoate. Following Lipinski's Rule of Five, 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate 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 4-bromobenzoate?
The CAS number of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate is 413594-59-9.
What is the molecular formula of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate?
The molecular formula of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate is C15H8BrNO4.
What is the molecular weight of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate?
The molecular weight of 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate is 344.96 g/mol.
Where can I buy 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate?
You can request a quote for 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate 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 4-bromobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dihydro-1,3-dioxo-2H-isoindol-2-yl 4-bromobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.