6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate
TL;DR: 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate (CAS 882872-15-3) is a chemical compound with molecular formula C14H13BrNO4- and molecular weight 338.00 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-carboxylate
Also Known As: 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate, 6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylate
| Molecular Formula | C14H13BrNO4- |
|---|---|
| Molecular Weight | 338.00 g/mol |
| LogP | 2.5505 |
| Topological Polar Surface Area | 71.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.0028 |
| Heavy Atoms | 20 |
| Complexity | 696.9972 |
Chemical Identifiers
| CAS Number | 882872-15-3 |
|---|---|
| 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-carboxylate (CAS 882872-15-3), with molecular formula C14H13BrNO4- and molecular weight 338.00 g/mol. IUPAC: 6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylate.
Chemical Property Profile of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate
Property Insights of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate
The XLogP value of 2.5505 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate. The TPSA of 71.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate. Following Lipinski's Rule of Five, 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate 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 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate?
The CAS number of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate is 882872-15-3.
What is the molecular formula of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate?
The molecular formula of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate is C14H13BrNO4-.
What is the molecular weight of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate?
The molecular weight of 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate is 338.00 g/mol.
Where can I buy 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate?
You can request a quote for 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate 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-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 6-Bromo-1-(tert-butoxycarbonyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.