(3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride
TL;DR: (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride (CAS 1049728-10-0) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.08696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride, (+/-)-TRANS-4-(4-METHYL-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID-HCL, (+/-)-Trans-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid HCl, (3S,4R)-4-(p-Tolyl)pyrrolidine-3-carboxylic acid hydrochloride, rac-(3r,4s)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride
Technical Specifications
| Molecular Formula | C12H16ClNO2 |
| Molecular Weight | 241.08696 g/mol |
| XLogP | 1.80442 |
| Topological Polar Surface Area (TPSA) | 49.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08696 Da |
| Heavy Atoms | 16 |
| Complexity | 234.0 |
| SMILES | CC1=CC=C(C=C1)[C@@H]2CNC[C@H]2C(=O)O.Cl |
| InChIKey | TVXRDUVQBHIKHO-VZXYPILPSA-N |
Chemical Property Profile of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride
Property Insights of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride
The XLogP value of 1.80442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.3 Ų, (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-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 (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride?
The CAS number of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride is 1049728-10-0.
What is the molecular formula of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride?
The molecular formula of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride is C12H16ClNO2.
What is the molecular weight of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride?
The molecular weight of (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride is 241.08696 g/mol.
Where can I buy (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride?
You can request a quote for (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride?
Yes, CoreyChem provides custom synthesis services for (3S,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.