Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate
TL;DR: Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate (CAS 895243-34-2) is a chemical compound with molecular formula C14H19NO2 and molecular weight 233.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate
Also Known As: methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate, (+/-)-M-methoxymandelicacid, Methyl1-benzyl-3-methylpyrrolidine-3-carboxylate, Methyl 1-benzyl-3-methyl-pyrrolidine-3-carboxylate, 1-Benzyl-3-methyl-pyrrolidine-3-carboxylic acid methyl ester
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 2.0716 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.14159 |
| Heavy Atoms | 17 |
| Complexity | 390.4685 |
Chemical Identifiers
| CAS Number | 895243-34-2 |
|---|---|
| SMILES | CC1(CCN(C1)CC2=CC=CC=C2)C(=O)OC |
Product Overview
Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate (CAS 895243-34-2), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate.
Chemical Property Profile of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate
Property Insights of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate
The XLogP value of 2.0716 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate 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 Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate?
The CAS number of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate is 895243-34-2.
What is the molecular formula of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate?
The molecular formula of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate is C14H19NO2.
What is the molecular weight of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate?
The molecular weight of Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate is 233.14 g/mol.
Where can I buy Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate?
You can request a quote for Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 1-benzyl-3-methylpyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.