3-Benzoylpyrrole
TL;DR: 3-Benzoylpyrrole (CAS 7126-41-2) is a chemical compound with molecular formula C11H9NO and molecular weight 171.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl(1H-pyrrol-3-yl)methanone
Also Known As: 3-Benzoylpyrrole, phenyl(1H-pyrrol-3-yl)methanone, 3-benzoyl-1H-pyrrole, zlchem 1323, Ketorolac Impurity 45
| Molecular Formula | C11H9NO |
|---|---|
| Molecular Weight | 171.07 g/mol |
| LogP | 2.2457 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.06842 |
| Heavy Atoms | 13 |
| Complexity | 389.29333 |
Chemical Identifiers
| CAS Number | 7126-41-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)C2=CNC=C2 |
Product Overview
3-Benzoylpyrrole (CAS 7126-41-2), with molecular formula C11H9NO and molecular weight 171.07 g/mol. IUPAC: phenyl(1H-pyrrol-3-yl)methanone.
Chemical Property Profile of 3-Benzoylpyrrole
Property Insights of 3-Benzoylpyrrole
The XLogP value of 2.2457 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Benzoylpyrrole. With a topological polar surface area (TPSA) of 32.86 Ų, 3-Benzoylpyrrole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Benzoylpyrrole has 1 hydrogen bond donor(s) and 1 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-Benzoylpyrrole?
The CAS number of 3-Benzoylpyrrole is 7126-41-2.
What is the molecular formula of 3-Benzoylpyrrole?
The molecular formula of 3-Benzoylpyrrole is C11H9NO.
What is the molecular weight of 3-Benzoylpyrrole?
The molecular weight of 3-Benzoylpyrrole is 171.07 g/mol.
Where can I buy 3-Benzoylpyrrole?
You can request a quote for 3-Benzoylpyrrole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Benzoylpyrrole?
Yes, KEHONG BIO provides custom synthesis services for 3-Benzoylpyrrole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.