1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate
TL;DR: 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate (CAS 692287-84-6) is a chemical compound with molecular formula C16H19NO4 and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-7-yl]prop-2-enoic acid
Also Known As: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-7-yl]prop-2-enoic Acid, 3-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-7-yl]prop-2-enoic acid, (Z)-3-[1-(tert-butoxycarbonyl)-2,3-dihydro-1H-indol-7-yl]-2-propenoic acid, 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate, 7-(2-CARBOXY-VINYL)-2,3-DIHYDRO-INDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
| Molecular Formula | C16H19NO4 |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 3.082 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.1314 |
| Heavy Atoms | 21 |
| Complexity | 598.7848 |
Chemical Identifiers
| CAS Number | 692287-84-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC2=C1C(=CC=C2)C=CC(=O)O |
Product Overview
1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate (CAS 692287-84-6), with molecular formula C16H19NO4 and molecular weight 289.13 g/mol. IUPAC: 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindol-7-yl]prop-2-enoic acid.
Chemical Property Profile of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate
Property Insights of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate
The XLogP value of 3.082 indicates that 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate. Following Lipinski's Rule of Five, 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate has 1 hydrogen bond donor(s) and 3 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 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate?
The CAS number of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate is 692287-84-6.
What is the molecular formula of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate?
The molecular formula of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate is C16H19NO4.
What is the molecular weight of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate?
The molecular weight of 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate is 289.13 g/mol.
Where can I buy 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate?
You can request a quote for 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,1-Dimethylethyl) 7-(2-carboxyethenyl)-2,3-dihydro-1H-indole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.