1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone
TL;DR: 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone (CAS 71157-56-7) is a chemical compound with molecular formula C14H17NO and molecular weight 215.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-methylphenyl)-2-(1-methylpyrrolidin-2-ylidene)ethanone
Also Known As: (2Z)-1-(3-methylphenyl)-2-(1-methylpyrrolidin-2-ylidene)etha, 1-(3-methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone, 1-(3-methylphenyl)-2-(1-methylpyrrolidin-2-ylidene)ethanone
| Molecular Formula | C14H17NO |
|---|---|
| Molecular Weight | 215.13 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.13101 |
| Heavy Atoms | 16 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 71157-56-7 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)C=C2CCCN2C |
| InChIKey | BFLFLWAWYJOYIC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone (CAS 71157-56-7), with molecular formula C14H17NO and molecular weight 215.13 g/mol. IUPAC: 1-(3-methylphenyl)-2-(1-methylpyrrolidin-2-ylidene)ethanone.
Chemical Property Profile of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone
Property Insights of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone. With a topological polar surface area (TPSA) of 20.3 Ų, 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone has 0 hydrogen bond donor(s) and 2 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-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone?
The CAS number of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone is 71157-56-7.
What is the molecular formula of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone?
The molecular formula of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone is C14H17NO.
What is the molecular weight of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone?
The molecular weight of 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone is 215.13 g/mol.
Where can I buy 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone?
You can request a quote for 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Methylphenyl)-2-(1-methyl-2-pyrrolidinyliden)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.