(2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
TL;DR: (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid (CAS 959575-45-2) is a chemical compound with molecular formula C14H20N2O4S and molecular weight 312.11 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-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
Also Known As: (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid, Boc-Pro{4-(4-ThzMe)}-OH, 6617AC, Boc-(S)-gamma-(4-thiazolylmethyl)-L-proline, (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C14H20N2O4S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.3958 |
| Topological Polar Surface Area | 79.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.11438 |
| Heavy Atoms | 21 |
| Complexity | 509.54373 |
Chemical Identifiers
| CAS Number | 959575-45-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1C[C@@H](C[C@H]1C(=O)O)CC2=CSC=N2 |
Product Overview
(2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid (CAS 959575-45-2), with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol. IUPAC: (2S,4S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
Property Insights of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
The XLogP value of 2.3958 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid. Following Lipinski's Rule of Five, (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 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-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The CAS number of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid is 959575-45-2.
What is the molecular formula of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The molecular formula of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid is C14H20N2O4S.
What is the molecular weight of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
The molecular weight of (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid is 312.11 g/mol.
Where can I buy (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
You can request a quote for (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-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-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S,4S)-1-(tert-Butoxycarbonyl)-4-(thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.