6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid
TL;DR: 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid (CAS 101774-27-0) is a chemical compound with molecular formula C14H14BrNO4 and molecular weight 339.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid
Also Known As: 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid, 6-bromo-1-(tert-butoxycarbonyl)indole-3-carboxylic acid, 6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic Acid, 1H-INDOLE-1,3-DICARBOXYLIC ACID,6-BROMO-,1-(1,1-DI, 1h-indole-1,3-dicarboxylic acid,6-bromo-,1-(1,1-dimethylethyl)ester
| Molecular Formula | C14H14BrNO4 |
|---|---|
| Molecular Weight | 339.01 g/mol |
| LogP | 3.8852 |
| Topological Polar Surface Area | 68.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.01062 |
| Heavy Atoms | 20 |
| Complexity | 696.9972 |
Chemical Identifiers
| CAS Number | 101774-27-0 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C=C(C2=C1C=C(C=C2)Br)C(=O)O |
Product Overview
6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid (CAS 101774-27-0), with molecular formula C14H14BrNO4 and molecular weight 339.01 g/mol. IUPAC: 6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid.
Chemical Property Profile of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid
Property Insights of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid
The XLogP value of 3.8852 indicates that 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid. Following Lipinski's Rule of Five, 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid 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 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid?
The CAS number of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid is 101774-27-0.
What is the molecular formula of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid?
The molecular formula of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid is C14H14BrNO4.
What is the molecular weight of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid?
The molecular weight of 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid is 339.01 g/mol.
Where can I buy 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid?
You can request a quote for 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.