N-Boc-indole-2-boronic acid
TL;DR: N-Boc-indole-2-boronic acid (CAS 181365-26-4) is a chemical compound with molecular formula C13H16BNO4 and molecular weight 261.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Also Known As: N-Boc-indole-2-boronic acid, 1-Boc-indole-2-boronic acid, hansayellow, 1-(tert-butoxycarbonyl)indole-2-boronic acid, 1-N-BOC-indole-2-boronic acid
| Molecular Formula | C13H16BNO4 |
|---|---|
| Molecular Weight | 261.12 g/mol |
| LogP | 1.1043 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.11725 |
| Heavy Atoms | 19 |
| Complexity | 612.62103 |
Chemical Identifiers
| CAS Number | 181365-26-4 |
|---|---|
| SMILES | B(C1=CC2=CC=CC=C2N1C(=O)OC(C)(C)C)(O)O |
Product Overview
N-Boc-indole-2-boronic acid (CAS 181365-26-4), with molecular formula C13H16BNO4 and molecular weight 261.12 g/mol. IUPAC: [1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
Chemical Property Profile of N-Boc-indole-2-boronic acid
Property Insights of N-Boc-indole-2-boronic acid
The XLogP value of 1.1043 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Boc-indole-2-boronic acid. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Boc-indole-2-boronic acid. Following Lipinski's Rule of Five, N-Boc-indole-2-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 N-Boc-indole-2-boronic acid?
The CAS number of N-Boc-indole-2-boronic acid is 181365-26-4.
What is the molecular formula of N-Boc-indole-2-boronic acid?
The molecular formula of N-Boc-indole-2-boronic acid is C13H16BNO4.
What is the molecular weight of N-Boc-indole-2-boronic acid?
The molecular weight of N-Boc-indole-2-boronic acid is 261.12 g/mol.
Where can I buy N-Boc-indole-2-boronic acid?
You can request a quote for N-Boc-indole-2-boronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Boc-indole-2-boronic acid?
Yes, KEHONG BIO provides custom synthesis services for N-Boc-indole-2-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.