(S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
TL;DR: (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1217840-70-4) is a chemical compound with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
Also Known As: starbld0000432, (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride, H-D-{Bzl(3-Me)}Pro-OH HCl, (S)-alpha-(3-Methyl-benzyl)-proline-HCl, 1139AA
| Molecular Formula | C13H18ClNO2 |
|---|---|
| Molecular Weight | 255.10 g/mol |
| LogP | 2.16612 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.1026 |
| Heavy Atoms | 17 |
| Complexity | 400.16086 |
Chemical Identifiers
| CAS Number | 1217840-70-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C[C@@]2(CCCN2)C(=O)O.Cl |
Product Overview
(S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride (CAS 1217840-70-4), with molecular formula C13H18ClNO2 and molecular weight 255.10 g/mol. IUPAC: (2S)-2-[(3-methylphenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride.
Chemical Property Profile of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
Property Insights of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride
The XLogP value of 2.16612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.33 Ų, (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride has 2 hydrogen bond donor(s) and 2 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 (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The CAS number of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 1217840-70-4.
What is the molecular formula of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular formula of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is C13H18ClNO2.
What is the molecular weight of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
The molecular weight of (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride is 255.10 g/mol.
Where can I buy (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
You can request a quote for (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (S)-2-(3-Methylbenzyl)pyrrolidine-2-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.