methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
TL;DR: methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate (CAS 95196-95-5) is a chemical compound with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-bromo-3-(1,3-dioxoisoindol-2-yl)propanoate
Also Known As: methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate, methyl 2-bromo-3-(1,3-dioxoisoindol-2-yl)propanoate, 2-bromo-3-phthalimido-propionic acid methyl ester, 2H-Isoindole-2-propanoic acid, a-bromo-1,3-dihydro-1,3-dioxo-, methylester, methyl2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
| Molecular Formula | C12H10BrNO4 |
|---|---|
| Molecular Weight | 310.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 63.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.9793 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 95196-95-5 |
|---|---|
| SMILES | COC(=O)C(CN1C(=O)C2=CC=CC=C2C1=O)Br |
| InChIKey | SRIHQCPYXNQAMD-UHFFFAOYSA-N |
Product Overview
methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate (CAS 95196-95-5), with molecular formula C12H10BrNO4 and molecular weight 310.98 g/mol. IUPAC: methyl 2-bromo-3-(1,3-dioxoisoindol-2-yl)propanoate.
Chemical Property Profile of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
Property Insights of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate. The TPSA of 63.7 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate. Following Lipinski's Rule of Five, methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate 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-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
The CAS number of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate is 95196-95-5.
What is the molecular formula of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
The molecular formula of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate is C12H10BrNO4.
What is the molecular weight of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
The molecular weight of methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate is 310.98 g/mol.
Where can I buy methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
You can request a quote for methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-bromo-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.