(2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid
TL;DR: (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid (CAS 147266-79-3) is a chemical compound with molecular formula C16H21NO5 and molecular weight 307.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenoxypyrrolidine-2-carboxylic acid
Also Known As: N-BOC-cis-4-Phenoxy-L-proline, Boc-cis-Hyp(Phenyl)-OH, (2S,4S)-1-(tert-butoxycarbonyl)-4-phenoxypyrrolidine-2-carboxylic acid, (2S,4S)-Boc-4-phenoxy-Pro-OH, (4S)-N-Boc-4-phenoxy-L-proline
| Molecular Formula | C16H21NO5 |
|---|---|
| Molecular Weight | 307.14 g/mol |
| LogP | 2.528 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.14197 |
| Heavy Atoms | 22 |
| Complexity | 537.21716 |
Chemical Identifiers
| CAS Number | 147266-79-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@H](C[C@H]1C(=O)O)OC2=CC=CC=C2 |
Product Overview
(2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid (CAS 147266-79-3), with molecular formula C16H21NO5 and molecular weight 307.14 g/mol. IUPAC: (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-phenoxypyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid
Property Insights of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid
The XLogP value of 2.528 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid has 1 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 (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid?
The CAS number of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid is 147266-79-3.
What is the molecular formula of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid is C16H21NO5.
What is the molecular weight of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid is 307.14 g/mol.
Where can I buy (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4S)-1-((tert-butoxy)carbonyl)-4-phenoxypyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.