methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate
TL;DR: methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate (CAS 313663-52-4) is a chemical compound with molecular formula C16H10BrNO5 and molecular weight 374.97 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)-2-hydroxybenzoate
Also Known As: BAS 00341014, methyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)-2-hydroxybenzoate, methyl 4-(5-bromo-1,3-dioxoisoindolin-2-yl)-2-hydroxybenzoate, methyl 4-(5-bromo-1,3-dioxobenzo[c]azolin-2-yl)-2-hydroxybenzoate, methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate
| Molecular Formula | C16H10BrNO5 |
|---|---|
| Molecular Weight | 374.97 g/mol |
| LogP | 2.7419 |
| Topological Polar Surface Area | 83.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.97424 |
| Heavy Atoms | 23 |
| Complexity | 861.54425 |
Chemical Identifiers
| CAS Number | 313663-52-4 |
|---|---|
| SMILES | COC(=O)C1=C(C=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)Br)O |
Product Overview
methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate (CAS 313663-52-4), with molecular formula C16H10BrNO5 and molecular weight 374.97 g/mol. IUPAC: methyl 4-(5-bromo-1,3-dioxoisoindol-2-yl)-2-hydroxybenzoate.
Chemical Property Profile of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate
Property Insights of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate
The XLogP value of 2.7419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate. The TPSA of 83.91 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)-2-hydroxybenzoate. Following Lipinski's Rule of Five, methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate has 1 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 methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate?
The CAS number of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate is 313663-52-4.
What is the molecular formula of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate?
The molecular formula of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate is C16H10BrNO5.
What is the molecular weight of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate?
The molecular weight of methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate is 374.97 g/mol.
Where can I buy methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate?
You can request a quote for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate 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)-2-hydroxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-2-hydroxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.