methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
TL;DR: methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 312592-45-3) is a chemical compound with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate
Also Known As: methyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate, methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
| Molecular Formula | C16H10BrNO4 |
|---|---|
| Molecular Weight | 358.98 g/mol |
| LogP | 3.0363 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.9793 |
| Heavy Atoms | 22 |
| Complexity | 798.29315 |
Chemical Identifiers
| CAS Number | 312592-45-3 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br |
Product Overview
methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate (CAS 312592-45-3), with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol. IUPAC: methyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)benzoate.
Chemical Property Profile of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
Property Insights of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate
The XLogP value of 3.0363 indicates that methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate. Following Lipinski's Rule of Five, methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate 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 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The CAS number of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 312592-45-3.
What is the molecular formula of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular formula of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is C16H10BrNO4.
What is the molecular weight of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
The molecular weight of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate is 358.98 g/mol.
Where can I buy methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
You can request a quote for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.