(3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid
TL;DR: (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid (CAS 1217673-08-9) is a chemical compound with molecular formula C14H17NO4 and molecular weight 263.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid
Also Known As: (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid, BB 0262700, rel-(3R,4S)-1-Benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid
| Molecular Formula | C14H17NO4 |
|---|---|
| Molecular Weight | 263.12 g/mol |
| LogP | 1.2939 |
| Topological Polar Surface Area | 77.84 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.11575 |
| Heavy Atoms | 19 |
| Complexity | 487.47916 |
Chemical Identifiers
| CAS Number | 1217673-08-9 |
|---|---|
| SMILES | C[C@@]1(CN(C[C@H]1C(=O)O)CC2=CC=CC=C2)C(=O)O |
Product Overview
(3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid (CAS 1217673-08-9), with molecular formula C14H17NO4 and molecular weight 263.12 g/mol. IUPAC: (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid.
Chemical Property Profile of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid
Property Insights of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid
The XLogP value of 1.2939 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid. The TPSA of 77.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid. Following Lipinski's Rule of Five, (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid has 2 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 (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid?
The CAS number of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid is 1217673-08-9.
What is the molecular formula of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid?
The molecular formula of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid is C14H17NO4.
What is the molecular weight of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid?
The molecular weight of (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid is 263.12 g/mol.
Where can I buy (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid?
You can request a quote for (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3R,4S)-1-benzyl-3-methylpyrrolidine-3,4-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.