(5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
TL;DR: (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid (CAS 849062-12-0) is a chemical compound with molecular formula C13H15BBrNO4 and molecular weight 339.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Also Known As: (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid, 1-BOC-5-bromoindole-2-boronic acid, zlchem 801, 5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-ylboronic acid, (N-Boc-5-bromo-2-indolyl)boronic acid
| Molecular Formula | C13H15BBrNO4 |
|---|---|
| Molecular Weight | 339.03 g/mol |
| LogP | 1.8668 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 339.02774 |
| Heavy Atoms | 20 |
| Complexity | 660.1703 |
Chemical Identifiers
| CAS Number | 849062-12-0 |
|---|---|
| SMILES | B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Br)(O)O |
Product Overview
(5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid (CAS 849062-12-0), with molecular formula C13H15BBrNO4 and molecular weight 339.03 g/mol. IUPAC: [5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
Chemical Property Profile of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
Property Insights of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid
The XLogP value of 1.8668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid. Following Lipinski's Rule of Five, (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid has 2 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 (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid?
The CAS number of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid is 849062-12-0.
What is the molecular formula of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid?
The molecular formula of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid is C13H15BBrNO4.
What is the molecular weight of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid?
The molecular weight of (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid is 339.03 g/mol.
Where can I buy (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid?
You can request a quote for (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid?
Yes, KEHONG BIO provides custom synthesis services for (5-Bromo-1-(tert-butoxycarbonyl)-1H-indol-2-yl)boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.