trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid
TL;DR: trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid (CAS 301226-53-9) is a chemical compound with molecular formula C16H20FNO4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
Also Known As: BOC-(+/-)-TRANS-4-(3-FLUORO-PHENYL)-PYRROLIDINE-3-CARBOXYLIC ACID, trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid, Boc-(+/-)-trans-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid, Boc-(trans-4-(3-fluoro-phenyl)-pyrrolidine-3-carboxylic acid, trans-1-(tert-Butoxycarbonyl)-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
| Molecular Formula | C16H20FNO4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 2.8608 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 309.13763 |
| Heavy Atoms | 22 |
| Complexity | 581.75366 |
Chemical Identifiers
| CAS Number | 301226-53-9 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)O)C2=CC(=CC=C2)F |
Product Overview
trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid (CAS 301226-53-9), with molecular formula C16H20FNO4 and molecular weight 309.14 g/mol. IUPAC: (3S,4R)-4-(3-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid.
Chemical Property Profile of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid
Property Insights of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid
The XLogP value of 2.8608 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, trans-1-Boc-4-(3-fluorophenyl)-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 trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid?
The CAS number of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid is 301226-53-9.
What is the molecular formula of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid?
The molecular formula of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid is C16H20FNO4.
What is the molecular weight of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid?
The molecular weight of trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid is 309.14 g/mol.
Where can I buy trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid?
You can request a quote for trans-1-Boc-4-(3-fluorophenyl)-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 trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-1-Boc-4-(3-fluorophenyl)-pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.