![methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate structure](/static/products/7649/76491-87-7.webp)
methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate
TL;DR: methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate (CAS 76491-87-7) is a chemical compound with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate
Also Known As: methyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate, methyl 4-(2-(1,3-dioxoisoindolin-2-yl)acetamido)benzoate, methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate, F1011-0960, methyl 4-[2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamido]benzoate
| Molecular Formula | C18H14N2O5 |
|---|---|
| Molecular Weight | 338.09 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 338.09027 |
| Heavy Atoms | 25 |
| Complexity | 544.0 |
Chemical Identifiers
| CAS Number | 76491-87-7 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O |
| InChIKey | VZCQALXZDCNBTM-UHFFFAOYSA-N |
Product Overview
methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate (CAS 76491-87-7), with molecular formula C18H14N2O5 and molecular weight 338.09 g/mol. IUPAC: methyl 4-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate
Property Insights of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate 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-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate?
The CAS number of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate is 76491-87-7.
What is the molecular formula of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate?
The molecular formula of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate is C18H14N2O5.
What is the molecular weight of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate?
The molecular weight of methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate is 338.09 g/mol.
Where can I buy methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate?
You can request a quote for methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}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-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]amino}benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.