1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone
TL;DR: 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone (CAS 25555-20-8) is a chemical compound with molecular formula C13H16N2O and molecular weight 216.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-2-pyrrolidin-1-yliminoethanone
Also Known As: 4'-Methyl-2-(1-pyrrolidinylimino)acetophenone, Ethanone,1-(4-methylphenyl)-2-(1-pyrrolidinylimino)-, ACETOPHENONE, 4'-METHYL-2-(1-PYRROLIDINYLIMINO)-
| Molecular Formula | C13H16N2O |
|---|---|
| Molecular Weight | 216.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.12627 |
| Heavy Atoms | 16 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 25555-20-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)C=NN2CCCC2 |
| InChIKey | MOBDBLHEYROYRS-UHFFFAOYSA-N |
Product Overview
1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone (CAS 25555-20-8), with molecular formula C13H16N2O and molecular weight 216.13 g/mol. IUPAC: 1-(4-methylphenyl)-2-pyrrolidin-1-yliminoethanone.
Chemical Property Profile of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone
Property Insights of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone. With a topological polar surface area (TPSA) of 32.7 Ų, 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone 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 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone?
The CAS number of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone is 25555-20-8.
What is the molecular formula of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone?
The molecular formula of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone is C13H16N2O.
What is the molecular weight of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone?
The molecular weight of 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone is 216.13 g/mol.
Where can I buy 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone?
You can request a quote for 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Methylphenyl)-2-pyrrolidin-1-yliminoethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.