Dimethyl indole-2,3-dicarboxylate
TL;DR: Dimethyl indole-2,3-dicarboxylate (CAS 54781-93-0) is a chemical compound with molecular formula C12H11NO4 and molecular weight 233.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 1H-indole-2,3-dicarboxylate
Also Known As: Dimethyl 1H-indole-2,3-dicarboxylate, Dimethyl indole-2,3-dicarboxylate, 2,3-dicarbomethoxyindole, Dimethyl 2,3-indoledicarboxylate, Maybridge1_006201
| Molecular Formula | C12H11NO4 |
|---|---|
| Molecular Weight | 233.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 233.0688 |
| Heavy Atoms | 17 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 54781-93-0 |
|---|---|
| SMILES | COC(=O)C1=C(NC2=CC=CC=C21)C(=O)OC |
| InChIKey | JNRXSMOJWKDVHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl indole-2,3-dicarboxylate (CAS 54781-93-0), with molecular formula C12H11NO4 and molecular weight 233.07 g/mol. IUPAC: dimethyl 1H-indole-2,3-dicarboxylate.
Chemical Property Profile of Dimethyl indole-2,3-dicarboxylate
Property Insights of Dimethyl indole-2,3-dicarboxylate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl indole-2,3-dicarboxylate. The TPSA of 68.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl indole-2,3-dicarboxylate. Following Lipinski's Rule of Five, Dimethyl indole-2,3-dicarboxylate has 1 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 Dimethyl indole-2,3-dicarboxylate?
The CAS number of Dimethyl indole-2,3-dicarboxylate is 54781-93-0.
What is the molecular formula of Dimethyl indole-2,3-dicarboxylate?
The molecular formula of Dimethyl indole-2,3-dicarboxylate is C12H11NO4.
What is the molecular weight of Dimethyl indole-2,3-dicarboxylate?
The molecular weight of Dimethyl indole-2,3-dicarboxylate is 233.07 g/mol.
Where can I buy Dimethyl indole-2,3-dicarboxylate?
You can request a quote for Dimethyl indole-2,3-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl indole-2,3-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl indole-2,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.