3-Benzoyl-1-tosylpyrrole
TL;DR: 3-Benzoyl-1-tosylpyrrole (CAS 139261-90-8) is a chemical compound with molecular formula C18H15NO3S and molecular weight 325.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethanone
Also Known As: 3-Benzoyl-1-tosylpyrrole, Phenyl(1-tosyl-1H-pyrrol-3-yl)methanone, 1-Tosyl-3-benzoyl-1H-pyrrole, 3-benzoyl-1-(4-methylbenzenesulfonyl)-1H-pyrrole, 3-benzoyl-1-(4-methylbenzenesulfonyl)pyrrole
| Molecular Formula | C18H15NO3S |
|---|---|
| Molecular Weight | 325.08 g/mol |
| LogP | 3.26452 |
| Topological Polar Surface Area | 56.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.07727 |
| Heavy Atoms | 23 |
| Complexity | 939.4465 |
Chemical Identifiers
| CAS Number | 139261-90-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2C=CC(=C2)C(=O)C3=CC=CC=C3 |
Product Overview
3-Benzoyl-1-tosylpyrrole (CAS 139261-90-8), with molecular formula C18H15NO3S and molecular weight 325.08 g/mol. IUPAC: [1-(4-methylphenyl)sulfonylpyrrol-3-yl]-phenylmethanone.
Chemical Property Profile of 3-Benzoyl-1-tosylpyrrole
Property Insights of 3-Benzoyl-1-tosylpyrrole
The XLogP value of 3.26452 indicates that 3-Benzoyl-1-tosylpyrrole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.14 Ų, 3-Benzoyl-1-tosylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoyl-1-tosylpyrrole 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 3-Benzoyl-1-tosylpyrrole?
The CAS number of 3-Benzoyl-1-tosylpyrrole is 139261-90-8.
What is the molecular formula of 3-Benzoyl-1-tosylpyrrole?
The molecular formula of 3-Benzoyl-1-tosylpyrrole is C18H15NO3S.
What is the molecular weight of 3-Benzoyl-1-tosylpyrrole?
The molecular weight of 3-Benzoyl-1-tosylpyrrole is 325.08 g/mol.
Where can I buy 3-Benzoyl-1-tosylpyrrole?
You can request a quote for 3-Benzoyl-1-tosylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoyl-1-tosylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoyl-1-tosylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.