(3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid (CAS 175272-69-2) is a chemical compound with molecular formula C17H20F3NO4 and molecular weight 359.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
Also Known As: (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, trans-1-(tert-Butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, Boc-(+/-)-trans-4-(3-trifluoromethylphenyl)pyrrolidine-3-carboxylic acid, Trans-1-Boc-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid, Boc-(trans-4-(3-trifluoromethyl-phenyl)-pyrrolidine-3-carboxylic acid
| Molecular Formula | C17H20F3NO4 |
|---|---|
| Molecular Weight | 359.13 g/mol |
| LogP | 3.7405 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.13443 |
| Heavy Atoms | 25 |
| Complexity | 666.59216 |
Chemical Identifiers
| CAS Number | 175272-69-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=CC=C2)C(F)(F)F |
Product Overview
(3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid (CAS 175272-69-2), with molecular formula C17H20F3NO4 and molecular weight 359.13 g/mol. IUPAC: (3S,4R)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid.
Chemical Property Profile of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 3.7405 indicates that (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid has 1 hydrogen bond donor(s) and 3 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)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is 175272-69-2.
What is the molecular formula of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is C17H20F3NO4.
What is the molecular weight of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid is 359.13 g/mol.
Where can I buy (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(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)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-1-(tert-butoxycarbonyl)-4-(3-(trifluoromethyl)phenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.