(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
TL;DR: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CAS 1002732-10-6) is a chemical compound with molecular formula C16H19FNO4- and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S,4R)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate
Also Known As: (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid, 1,3-Pyrrolidinedicarboxylic acid, 4-(4-fluorophenyl)-, 1-(1,1-dimethylethyl) ester, (3S,4R)-
| Molecular Formula | C16H19FNO4- |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 1.5261 |
| Topological Polar Surface Area | 69.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 308.12982 |
| Heavy Atoms | 22 |
| Complexity | 564.50366 |
Chemical Identifiers
| CAS Number | 1002732-10-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H]([C@@H](C1)C(=O)[O-])C2=CC=C(C=C2)F |
Product Overview
(3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid (CAS 1002732-10-6), with molecular formula C16H19FNO4- and molecular weight 308.13 g/mol. IUPAC: (3S,4R)-4-(4-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylate.
Chemical Property Profile of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
Property Insights of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid
The XLogP value of 1.5261 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid. The TPSA of 69.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid. Following Lipinski's Rule of Five, (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid has 0 hydrogen bond donor(s) and 4 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-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The CAS number of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is 1002732-10-6.
What is the molecular formula of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The molecular formula of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is C16H19FNO4-.
What is the molecular weight of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
The molecular weight of (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid is 308.13 g/mol.
Where can I buy (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
You can request a quote for (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-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 (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (3S,4R)-1-(tert-butoxycarbonyl)-4-(4-fluorophenyl)pyrrolidine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.