(4-methylphenyl)(1H-pyrrol-3-yl)methanone
TL;DR: (4-methylphenyl)(1H-pyrrol-3-yl)methanone (CAS 117378-85-5) 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-3-yl)methanone
Also Known As: 3-(4-Methylbenzoyl)-1H-pyrrole, (4-methylphenyl)-(1H-pyrrol-3-yl)methanone, Methanone, (4-methylphenyl)-1H-pyrrol-3-yl-, (4-methylphenyl)(1H-pyrrol-3-yl)methanone, (4-Methylphenyl)(1H-pyrrole-3-yl) ketone
| 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 | 117378-85-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C2=CNC=C2 |
Product Overview
(4-methylphenyl)(1H-pyrrol-3-yl)methanone (CAS 117378-85-5), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: (4-methylphenyl)-(1H-pyrrol-3-yl)methanone.
Chemical Property Profile of (4-methylphenyl)(1H-pyrrol-3-yl)methanone
Property Insights of (4-methylphenyl)(1H-pyrrol-3-yl)methanone
The XLogP value of 2.55412 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-methylphenyl)(1H-pyrrol-3-yl)methanone. With a topological polar surface area (TPSA) of 32.86 Ų, (4-methylphenyl)(1H-pyrrol-3-yl)methanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-methylphenyl)(1H-pyrrol-3-yl)methanone 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 (4-methylphenyl)(1H-pyrrol-3-yl)methanone?
The CAS number of (4-methylphenyl)(1H-pyrrol-3-yl)methanone is 117378-85-5.
What is the molecular formula of (4-methylphenyl)(1H-pyrrol-3-yl)methanone?
The molecular formula of (4-methylphenyl)(1H-pyrrol-3-yl)methanone is C12H11NO.
What is the molecular weight of (4-methylphenyl)(1H-pyrrol-3-yl)methanone?
The molecular weight of (4-methylphenyl)(1H-pyrrol-3-yl)methanone is 185.08 g/mol.
Where can I buy (4-methylphenyl)(1H-pyrrol-3-yl)methanone?
You can request a quote for (4-methylphenyl)(1H-pyrrol-3-yl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-methylphenyl)(1H-pyrrol-3-yl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (4-methylphenyl)(1H-pyrrol-3-yl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.