![1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one structure](/static/products/1062/106264-79-3.webp)
1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one
TL;DR: 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one (CAS 106264-79-3) is a chemical compound with molecular formula C13H13NO3S and molecular weight 263.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone
Also Known As: 1-(1-tosyl-1h-pyrrol-3-yl)ethanone, 3-acetyl-1-tosylpyrrole, 1-tosyl-3-acetylpyrrole, 3-Acetyl-1-(p-tolylsulfonyl)pyrrole, 3-acetyl-n-tosylpyrrole
| Molecular Formula | C13H13NO3S |
|---|---|
| Molecular Weight | 263.06 g/mol |
| LogP | 2.23612 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 263.0616 |
| Heavy Atoms | 18 |
| Complexity | 681.2814 |
Chemical Identifiers
| CAS Number | 106264-79-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C |
Product Overview
1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one (CAS 106264-79-3), with molecular formula C13H13NO3S and molecular weight 263.06 g/mol. IUPAC: 1-[1-(4-methylphenyl)sulfonylpyrrol-3-yl]ethanone.
Chemical Property Profile of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one
Property Insights of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one
The XLogP value of 2.23612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one. With a topological polar surface area (TPSA) of 56.14 Ų, 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one 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 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one?
The CAS number of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one is 106264-79-3.
What is the molecular formula of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one?
The molecular formula of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one is C13H13NO3S.
What is the molecular weight of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one?
The molecular weight of 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one is 263.06 g/mol.
Where can I buy 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one?
You can request a quote for 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-[1-(4-methylbenzenesulfonyl)-1H-pyrrol-3-yl]ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.