N-(p-Toluenesulfonyl)indole-3-boronic acid
TL;DR: N-(p-Toluenesulfonyl)indole-3-boronic acid (CAS 149108-61-2) is a chemical compound with molecular formula C15H14BNO4S and molecular weight 315.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid
Also Known As: N-(p-Toluenesulfonyl)indole-3-boronic acid, (1-tosyl-1H-Indol-3-yl)boronic acid, N- INDOLE-3-BORONICACID, [1-(4-methylphenyl)sulfonylindol-3-yl]boronic Acid, 1-TOSYL-3-INDOLEBORONIC ACID
| Molecular Formula | C15H14BNO4S |
|---|---|
| Molecular Weight | 315.07 g/mol |
| LogP | 0.86652 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 315.07367 |
| Heavy Atoms | 22 |
| Complexity | 929.83575 |
Chemical Identifiers
| CAS Number | 149108-61-2 |
|---|---|
| SMILES | B(C1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=C(C=C3)C)(O)O |
Product Overview
N-(p-Toluenesulfonyl)indole-3-boronic acid (CAS 149108-61-2), with molecular formula C15H14BNO4S and molecular weight 315.07 g/mol. IUPAC: [1-(4-methylphenyl)sulfonylindol-3-yl]boronic acid.
Chemical Property Profile of N-(p-Toluenesulfonyl)indole-3-boronic acid
Property Insights of N-(p-Toluenesulfonyl)indole-3-boronic acid
The XLogP value of 0.86652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(p-Toluenesulfonyl)indole-3-boronic acid. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(p-Toluenesulfonyl)indole-3-boronic acid. Following Lipinski's Rule of Five, N-(p-Toluenesulfonyl)indole-3-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-(p-Toluenesulfonyl)indole-3-boronic acid?
The CAS number of N-(p-Toluenesulfonyl)indole-3-boronic acid is 149108-61-2.
What is the molecular formula of N-(p-Toluenesulfonyl)indole-3-boronic acid?
The molecular formula of N-(p-Toluenesulfonyl)indole-3-boronic acid is C15H14BNO4S.
What is the molecular weight of N-(p-Toluenesulfonyl)indole-3-boronic acid?
The molecular weight of N-(p-Toluenesulfonyl)indole-3-boronic acid is 315.07 g/mol.
Where can I buy N-(p-Toluenesulfonyl)indole-3-boronic acid?
You can request a quote for N-(p-Toluenesulfonyl)indole-3-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-(p-Toluenesulfonyl)indole-3-boronic acid?
Yes, KEHONG BIO provides custom synthesis services for N-(p-Toluenesulfonyl)indole-3-boronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.