1-(phenylsulfonyl)-1H-indol-3-ylboronic acid
TL;DR: 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid (CAS 129271-98-3) is a chemical compound with molecular formula C14H12BNO4S and molecular weight 301.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(benzenesulfonyl)indol-3-yl]boronic acid
Also Known As: 1-(Phenylsulfonyl)-3-indoleboronic acid, (1-(Phenylsulfonyl)-1H-indol-3-yl)boronic acid, 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid, akos brn-0396, [1-(benzenesulfonyl)indol-3-yl]boronic Acid
| Molecular Formula | C14H12BNO4S |
|---|---|
| Molecular Weight | 301.06 g/mol |
| LogP | 0.5581 |
| Topological Polar Surface Area | 79.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.058 |
| Heavy Atoms | 21 |
| Complexity | 887.73785 |
Chemical Identifiers
| CAS Number | 129271-98-3 |
|---|---|
| SMILES | B(C1=CN(C2=CC=CC=C12)S(=O)(=O)C3=CC=CC=C3)(O)O |
Product Overview
1-(phenylsulfonyl)-1H-indol-3-ylboronic acid (CAS 129271-98-3), with molecular formula C14H12BNO4S and molecular weight 301.06 g/mol. IUPAC: [1-(benzenesulfonyl)indol-3-yl]boronic acid.
Chemical Property Profile of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid
Property Insights of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid
The XLogP value of 0.5581 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid. The TPSA of 79.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid. Following Lipinski's Rule of Five, 1-(phenylsulfonyl)-1H-indol-3-ylboronic 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-(phenylsulfonyl)-1H-indol-3-ylboronic acid?
The CAS number of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid is 129271-98-3.
What is the molecular formula of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid?
The molecular formula of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid is C14H12BNO4S.
What is the molecular weight of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid?
The molecular weight of 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid is 301.06 g/mol.
Where can I buy 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid?
You can request a quote for 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-(phenylsulfonyl)-1H-indol-3-ylboronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.