![Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate structure](/static/products/877/877428-90-5.png)
Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate
TL;DR: Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate (CAS 877428-90-5) is a chemical compound with molecular formula C17H13NO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[(2,3-dioxoindol-1-yl)methyl]benzoate
Also Known As: methyl 3-[(2,3-dioxoindol-1-yl)methyl]benzoate, methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate
| Molecular Formula | C17H13NO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 2.2027 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.08447 |
| Heavy Atoms | 22 |
| Complexity | 781.73334 |
Chemical Identifiers
| CAS Number | 877428-90-5 |
|---|---|
| SMILES | COC(=O)C1=CC=CC(=C1)CN2C3=CC=CC=C3C(=O)C2=O |
Product Overview
Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate (CAS 877428-90-5), with molecular formula C17H13NO4 and molecular weight 295.08 g/mol. IUPAC: methyl 3-[(2,3-dioxoindol-1-yl)methyl]benzoate.
Chemical Property Profile of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate
Property Insights of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate
The XLogP value of 2.2027 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate. Following Lipinski's Rule of Five, Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]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 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate?
The CAS number of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate is 877428-90-5.
What is the molecular formula of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate?
The molecular formula of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate is C17H13NO4.
What is the molecular weight of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate?
The molecular weight of Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate is 295.08 g/mol.
Where can I buy Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate?
You can request a quote for Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-[(2,3-dioxo-2,3-dihydro-1h-indol-1-yl)methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.