(1h-Pyrrol-2-yl)(4-methylphenyl)ketone
TL;DR: (1h-Pyrrol-2-yl)(4-methylphenyl)ketone (CAS 55895-62-0) is a chemical compound with molecular formula C12H11NO and molecular weight 185.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-methylphenyl)-(1H-pyrrol-2-yl)methanone
Also Known As: 2-p-toluoylpyrrole, (1h-pyrrol-2-yl)(4-methylphenyl)ketone, 2-(4-Methylbenzoyl)-1H-pyrrole, (1H-Pyrrol-2-yl)(p-tolyl)methanone, (4-methylphenyl)-(1H-pyrrol-2-yl)methanone
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.55412 |
| Topological Polar Surface Area | 32.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 425.8551 |
Chemical Identifiers
| CAS Number | 55895-62-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CC=CN2 |
Product Overview
(1h-Pyrrol-2-yl)(4-methylphenyl)ketone (CAS 55895-62-0), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: (4-methylphenyl)-(1H-pyrrol-2-yl)methanone.
Chemical Property Profile of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone
Property Insights of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone
The XLogP value of 2.55412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1h-Pyrrol-2-yl)(4-methylphenyl)ketone. With a topological polar surface area (TPSA) of 32.86 Ų, (1h-Pyrrol-2-yl)(4-methylphenyl)ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1h-Pyrrol-2-yl)(4-methylphenyl)ketone 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 (1h-Pyrrol-2-yl)(4-methylphenyl)ketone?
The CAS number of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone is 55895-62-0.
What is the molecular formula of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone?
The molecular formula of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone is C12H11NO.
What is the molecular weight of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone?
The molecular weight of (1h-Pyrrol-2-yl)(4-methylphenyl)ketone is 185.08 g/mol.
Where can I buy (1h-Pyrrol-2-yl)(4-methylphenyl)ketone?
You can request a quote for (1h-Pyrrol-2-yl)(4-methylphenyl)ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1h-Pyrrol-2-yl)(4-methylphenyl)ketone?
Yes, KEHONG BIO provides custom synthesis services for (1h-Pyrrol-2-yl)(4-methylphenyl)ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.