3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester
TL;DR: 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester (CAS 89607-68-1) is a chemical compound with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-diazoindole-2-carboxylate
Also Known As: ethyl 3-diazo-3H-indole-2-carboxylate, 2-carboethoxy-3-diazo-3H-indole, ethyl 3-diazoindole-2-carboxylate, (3-diazonioindol-2-ylidene)-ethoxymethanolate, 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester
| Molecular Formula | C11H9N3O2 |
|---|---|
| Molecular Weight | 215.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 40.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 215.06947 |
| Heavy Atoms | 16 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 89607-68-1 |
|---|---|
| SMILES | CCOC(=O)C1=NC2=CC=CC=C2C1=[N+]=[N-] |
| InChIKey | HHXBUEDUJDFQEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester (CAS 89607-68-1), with molecular formula C11H9N3O2 and molecular weight 215.07 g/mol. IUPAC: ethyl 3-diazoindole-2-carboxylate.
Chemical Property Profile of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester
Property Insights of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester. With a topological polar surface area (TPSA) of 40.7 Ų, 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester 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 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester?
The CAS number of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester is 89607-68-1.
What is the molecular formula of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester?
The molecular formula of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester is C11H9N3O2.
What is the molecular weight of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester?
The molecular weight of 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester is 215.07 g/mol.
Where can I buy 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester?
You can request a quote for 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3H-Indole-2-carboxylic acid, 3-diazo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.