1H-Pyrrole, 1-(4-methylbenzoyl)-
TL;DR: 1H-Pyrrole, 1-(4-methylbenzoyl)- (CAS 70971-70-9) 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)-pyrrol-1-ylmethanone
Also Known As: 1H-Pyrrole, 1-(4-methylbenzoyl)-, 1-(4-Methylbenzoyl)-1H-pyrrole, (4-methylphenyl)-pyrrol-1-ylmethanone, (1H-pyrrol-1-yl)(p-tolyl)methanone, (4-methylphenyl)-pyrrol-1-yl-methanone
| Molecular Formula | C12H11NO |
|---|---|
| Molecular Weight | 185.08 g/mol |
| LogP | 2.48502 |
| Topological Polar Surface Area | 22.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.08406 |
| Heavy Atoms | 14 |
| Complexity | 425.8551 |
Chemical Identifiers
| CAS Number | 70971-70-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)N2C=CC=C2 |
Product Overview
1H-Pyrrole, 1-(4-methylbenzoyl)- (CAS 70971-70-9), with molecular formula C12H11NO and molecular weight 185.08 g/mol. IUPAC: (4-methylphenyl)-pyrrol-1-ylmethanone.
Chemical Property Profile of 1H-Pyrrole, 1-(4-methylbenzoyl)-
Property Insights of 1H-Pyrrole, 1-(4-methylbenzoyl)-
The XLogP value of 2.48502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Pyrrole, 1-(4-methylbenzoyl)-. With a topological polar surface area (TPSA) of 22.0 Ų, 1H-Pyrrole, 1-(4-methylbenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Pyrrole, 1-(4-methylbenzoyl)- has 0 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-Pyrrole, 1-(4-methylbenzoyl)-?
The CAS number of 1H-Pyrrole, 1-(4-methylbenzoyl)- is 70971-70-9.
What is the molecular formula of 1H-Pyrrole, 1-(4-methylbenzoyl)-?
The molecular formula of 1H-Pyrrole, 1-(4-methylbenzoyl)- is C12H11NO.
What is the molecular weight of 1H-Pyrrole, 1-(4-methylbenzoyl)-?
The molecular weight of 1H-Pyrrole, 1-(4-methylbenzoyl)- is 185.08 g/mol.
Where can I buy 1H-Pyrrole, 1-(4-methylbenzoyl)-?
You can request a quote for 1H-Pyrrole, 1-(4-methylbenzoyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Pyrrole, 1-(4-methylbenzoyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Pyrrole, 1-(4-methylbenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.