(3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride
TL;DR: (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride (CAS 1956355-53-5) is a chemical compound with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride, trans-4-O-Tolylpyrrolidine-3-carboxylic acid hydrochloride, (3S,4R)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride, trans-4-(o-Tolyl)pyrrolidine-3-carboxylic acid hydrochloride, (3S,4R)-4-O-TOLYLPYRROLIDINE-3-CARBOXYLIC ACID
| Molecular Formula | C12H16ClNO2 |
|---|---|
| Molecular Weight | 241.09 g/mol |
| LogP | 1.80442 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 241.08696 |
| Heavy Atoms | 16 |
| Complexity | 381.03644 |
Chemical Identifiers
| CAS Number | 1956355-53-5 |
|---|---|
| SMILES | CC1=CC=CC=C1[C@@H]2CNC[C@H]2C(=O)O.Cl |
Product Overview
(3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride (CAS 1956355-53-5), with molecular formula C12H16ClNO2 and molecular weight 241.09 g/mol. IUPAC: (3S,4R)-4-(2-methylphenyl)pyrrolidine-3-carboxylic acid;hydrochloride.
Chemical Property Profile of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride
Property Insights of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride
The XLogP value of 1.80442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.33 Ų, (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-4-(o-tolyl)Pyrrolidine-3-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 (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride?
The CAS number of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride is 1956355-53-5.
What is the molecular formula of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride?
The molecular formula of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride is C12H16ClNO2.
What is the molecular weight of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride?
The molecular weight of (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride is 241.09 g/mol.
Where can I buy (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride?
You can request a quote for (3S,4R)-4-(o-tolyl)Pyrrolidine-3-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 (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-4-(o-tolyl)Pyrrolidine-3-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.