(S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
TL;DR: (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1217859-15-8) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.1026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-2-[(2-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: starbld0000428, (S)-alpha-(2-Methyl-benzyl)-proline-HCl, (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride, H-D-{Bzl(2-Me)}Pro-OH HCl, 1138AA
Technical Specifications
| Molecular Formula | C13H18ClNO2 |
| Molecular Weight | 255.1026 g/mol |
| XLogP | 2.16612 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.1026 Da |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
| SMILES | CC1=CC=CC=C1C[C@@]2(CCCN2)C(=O)O.Cl |
| InChIKey | CDBIBJDHAAXDCY-ZOWNYOTGSA-N |
Chemical Property Profile of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
Property Insights of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
The XLogP value of 2.16612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 3 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 (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The CAS number of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1217859-15-8.
What is the molecular formula of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular formula of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C13H18ClNO2.
What is the molecular weight of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular weight of (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 255.1026 g/mol.
Where can I buy (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
You can request a quote for (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for (S)-2-(2-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.