(3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
TL;DR: (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride (CAS 2103402-72-6) is a chemical compound with molecular formula C12H13ClF3NO2 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride
Also Known As: (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, (+/-)-trans-4-(3-Trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid-HCl, trans-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride, (3S,4R)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid hydrochloride, (3S,4R)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride
| Molecular Formula | C12H13ClF3NO2 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.5148 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 295.0587 |
| Heavy Atoms | 19 |
| Complexity | 464.53287 |
Chemical Identifiers
| CAS Number | 2103402-72-6 |
|---|---|
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F.Cl |
Product Overview
(3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride (CAS 2103402-72-6), with molecular formula C12H13ClF3NO2 and molecular weight 295.06 g/mol. IUPAC: (3S,4R)-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid;hydrochloride.
Chemical Property Profile of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
Property Insights of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride
The XLogP value of 2.5148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride. With a topological polar surface area (TPSA) of 49.33 Ų, (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-4-(3-(Trifluoromethyl)phenyl)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-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride?
The CAS number of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride is 2103402-72-6.
What is the molecular formula of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride?
The molecular formula of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride is C12H13ClF3NO2.
What is the molecular weight of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride?
The molecular weight of (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride is 295.06 g/mol.
Where can I buy (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride?
You can request a quote for (3S,4R)-4-(3-(Trifluoromethyl)phenyl)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-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-4-(3-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.