1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
TL;DR: 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- (CAS 99532-45-3) is a chemical compound with molecular formula C16H13NO3S and molecular weight 299.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(benzenesulfonyl)indol-3-yl]ethanone
Also Known As: 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-, 3-ACETYL-1- INDOLE, 1-(1-(phenylsulfonyl)-1H-indol-3-yl)ethanone, 1-phenylsulfonyl-3-acetylindole, 1-(1-besylindol-3-yl)ethanone
| Molecular Formula | C16H13NO3S |
|---|---|
| Molecular Weight | 299.06 g/mol |
| LogP | 3.0809 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 299.0616 |
| Heavy Atoms | 21 |
| Complexity | 924.5703 |
Chemical Identifiers
| CAS Number | 99532-45-3 |
|---|---|
| SMILES | CC(=O)C1=CN(C2=CC=CC=C21)S(=O)(=O)C3=CC=CC=C3 |
Product Overview
1H-Indole, 3-acetyl-1-(phenylsulfonyl)- (CAS 99532-45-3), with molecular formula C16H13NO3S and molecular weight 299.06 g/mol. IUPAC: 1-[1-(benzenesulfonyl)indol-3-yl]ethanone.
Chemical Property Profile of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
Property Insights of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-
The XLogP value of 3.0809 indicates that 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- has 0 hydrogen bond donor(s) and 3 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 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-?
The CAS number of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- is 99532-45-3.
What is the molecular formula of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-?
The molecular formula of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- is C16H13NO3S.
What is the molecular weight of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-?
The molecular weight of 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- is 299.06 g/mol.
Where can I buy 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-?
You can request a quote for 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Indole, 3-acetyl-1-(phenylsulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Indole, 3-acetyl-1-(phenylsulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.