(3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid (CAS 1363594-80-2) is a chemical compound with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
Also Known As: (3S,4R)-4-(4-(TRIFLUOROMETHYL)PHENYL)PYRROLIDINE-3-CARBOXYLIC ACID, (3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid, I11-0162, Trans-4-(4-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, (+/-)-Trans-4-(4-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid, HCl
| Molecular Formula | C12H12F3NO2 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.093 |
| Topological Polar Surface Area | 49.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.082 |
| Heavy Atoms | 18 |
| Complexity | 441.6309 |
Chemical Identifiers
| CAS Number | 1363594-80-2 |
|---|---|
| SMILES | C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=C(C=C2)C(F)(F)F |
Product Overview
(3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid (CAS 1363594-80-2), with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol. IUPAC: (3S,4R)-4-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 2.093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid. With a topological polar surface area (TPSA) of 49.33 Ų, (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid 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-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is 1363594-80-2.
What is the molecular formula of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is C12H12F3NO2.
What is the molecular weight of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is 259.08 g/mol.
Where can I buy (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid 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-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-4-(4-(Trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.