Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate
TL;DR: Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate (CAS 151296-55-8) is a chemical compound with molecular formula C13H17NO2 and molecular weight 219.12593 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 4-methyl-3-pyrrolidin-1-ylbenzoate
Also Known As: Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate, methyl 4-methyl-3-pyrrolidin-1-ylbenzoate, 4-Methyl-3-pyrrolidin-1-yl-benzoic acid methyl ester, methyl 4-methyl-3-pyrrolidin-1-yl-benzoate, Methyl 4-methyl-3-(1-pyrrolidinyl)benzoate
Technical Specifications
| Molecular Formula | C13H17NO2 |
| Molecular Weight | 219.12593 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.12593 Da |
| Heavy Atoms | 16 |
| Complexity | 248.0 |
| SMILES | CC1=C(C=C(C=C1)C(=O)OC)N2CCCC2 |
| InChIKey | VVILSFLCWBZFJL-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate
Property Insights of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate. With a topological polar surface area (TPSA) of 29.5 Ų, Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate 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
What is the CAS number of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate?
The CAS number of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate is 151296-55-8.
What is the molecular formula of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate?
The molecular formula of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate is C13H17NO2.
What is the molecular weight of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate?
The molecular weight of Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate is 219.12593 g/mol.
Where can I buy Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate?
You can request a quote for Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate?
Yes, CoreyChem provides custom synthesis services for Methyl 4-methyl-3-(pyrrolidin-1-yl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.