methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
TL;DR: methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 404865-16-3) 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 2-(4-bromophenyl)-1,3-dioxoisoindole-5-carboxylate
Also Known As: methyl 2-(4-bromophenyl)-1,3-dioxoisoindole-5-carboxylate, methyl 2-(4-bromophenyl)-1,3-dioxoisoindoline-5-carboxylate, methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
| 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 | 404865-16-3 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)C(=O)N(C2=O)C3=CC=C(C=C3)Br |
Product Overview
methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate (CAS 404865-16-3), with molecular formula C16H10BrNO4 and molecular weight 358.98 g/mol. IUPAC: methyl 2-(4-bromophenyl)-1,3-dioxoisoindole-5-carboxylate.
Chemical Property Profile of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Property Insights of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
The XLogP value of 3.0363 indicates that methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate. Following Lipinski's Rule of Five, methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate 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-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The CAS number of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 404865-16-3.
What is the molecular formula of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular formula of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is C16H10BrNO4.
What is the molecular weight of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
The molecular weight of methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate is 358.98 g/mol.
Where can I buy methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
You can request a quote for methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(4-bromophenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.