1-Boc-5-chloro-1h-indole-2-boronic acid
TL;DR: 1-Boc-5-chloro-1h-indole-2-boronic acid (CAS 475102-12-6) is a chemical compound with molecular formula C13H15BClNO4 and molecular weight 295.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid
Also Known As: 1-Boc-5-chloro-1h-indole-2-boronic acid, (1-(tert-Butoxycarbonyl)-5-chloro-1H-indol-2-yl)boronic acid, 1-Boc-5-chloroindole-2-boronic acid, [5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic Acid, {1-[(tert-butoxy)carbonyl]-5-chloro-1H-indol-2-yl}boronic acid
| Molecular Formula | C13H15BClNO4 |
|---|---|
| Molecular Weight | 295.08 g/mol |
| LogP | 1.7577 |
| Topological Polar Surface Area | 71.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 295.07828 |
| Heavy Atoms | 20 |
| Complexity | 660.1703 |
Chemical Identifiers
| CAS Number | 475102-12-6 |
|---|---|
| SMILES | B(C1=CC2=C(N1C(=O)OC(C)(C)C)C=CC(=C2)Cl)(O)O |
Product Overview
1-Boc-5-chloro-1h-indole-2-boronic acid (CAS 475102-12-6), with molecular formula C13H15BClNO4 and molecular weight 295.08 g/mol. IUPAC: [5-chloro-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]boronic acid.
Chemical Property Profile of 1-Boc-5-chloro-1h-indole-2-boronic acid
Property Insights of 1-Boc-5-chloro-1h-indole-2-boronic acid
The XLogP value of 1.7577 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Boc-5-chloro-1h-indole-2-boronic acid. The TPSA of 71.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Boc-5-chloro-1h-indole-2-boronic acid. Following Lipinski's Rule of Five, 1-Boc-5-chloro-1h-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 1-Boc-5-chloro-1h-indole-2-boronic acid?
The CAS number of 1-Boc-5-chloro-1h-indole-2-boronic acid is 475102-12-6.
What is the molecular formula of 1-Boc-5-chloro-1h-indole-2-boronic acid?
The molecular formula of 1-Boc-5-chloro-1h-indole-2-boronic acid is C13H15BClNO4.
What is the molecular weight of 1-Boc-5-chloro-1h-indole-2-boronic acid?
The molecular weight of 1-Boc-5-chloro-1h-indole-2-boronic acid is 295.08 g/mol.
Where can I buy 1-Boc-5-chloro-1h-indole-2-boronic acid?
You can request a quote for 1-Boc-5-chloro-1h-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 1-Boc-5-chloro-1h-indole-2-boronic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-5-chloro-1h-indole-2-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.