methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
TL;DR: methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS 895243-18-2) 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 (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
Also Known As: methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate, trans-methyl 1-benzyl-4-methylpyrrolidine-3-carboxylate, trans-methyl1-benzyl-4-methylpyrrolidine-3-carboxylate, methyl trans-1-benzyl-4-methylpyrrolidine-3-carboxylate, rel-Methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
| Molecular Formula | C14H19NO2 |
|---|---|
| Molecular Weight | 233.14 g/mol |
| LogP | 1.9275 |
| 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 | 377.06842 |
Chemical Identifiers
| CAS Number | 895243-18-2 |
|---|---|
| SMILES | C[C@H]1CN(C[C@@H]1C(=O)OC)CC2=CC=CC=C2 |
Product Overview
methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate (CAS 895243-18-2), with molecular formula C14H19NO2 and molecular weight 233.14 g/mol. IUPAC: methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate.
Chemical Property Profile of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
Property Insights of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
The XLogP value of 1.9275 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate. With a topological polar surface area (TPSA) of 29.54 Ų, methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (3R,4R)-1-benzyl-4-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 (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
The CAS number of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate is 895243-18-2.
What is the molecular formula of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
The molecular formula of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate is C14H19NO2.
What is the molecular weight of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
The molecular weight of methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate is 233.14 g/mol.
Where can I buy methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
You can request a quote for methyl (3R,4R)-1-benzyl-4-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 (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.