Boc-(S)-alpha-(4-thiazolylmethyl)-proline
TL;DR: Boc-(S)-alpha-(4-thiazolylmethyl)-proline (CAS 1217628-22-2) 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)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
Also Known As: Boc-(S)-alpha-(4-thiazolylmethyl)-proline, Boc-D-(4-ThzMe)Pro-OH, BOC-(S)-A-(4-THIAZOLYLMETHYL)PROLINE, N-(t-Butoxycarbonyl)-2-(4-thiazolylmethyl)-D-proline, (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid
| Molecular Formula | C14H20N2O4S |
|---|---|
| Molecular Weight | 312.11 g/mol |
| LogP | 2.5399 |
| 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 | 523.57635 |
Chemical Identifiers
| CAS Number | 1217628-22-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)N1CCC[C@]1(CC2=CSC=N2)C(=O)O |
Product Overview
Boc-(S)-alpha-(4-thiazolylmethyl)-proline (CAS 1217628-22-2), with molecular formula C14H20N2O4S and molecular weight 312.11 g/mol. IUPAC: (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(1,3-thiazol-4-ylmethyl)pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Boc-(S)-alpha-(4-thiazolylmethyl)-proline
Property Insights of Boc-(S)-alpha-(4-thiazolylmethyl)-proline
The XLogP value of 2.5399 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Boc-(S)-alpha-(4-thiazolylmethyl)-proline. The TPSA of 79.73 Ų falls within the moderate polarity range, balancing permeability and solubility for Boc-(S)-alpha-(4-thiazolylmethyl)-proline. Following Lipinski's Rule of Five, Boc-(S)-alpha-(4-thiazolylmethyl)-proline 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 Boc-(S)-alpha-(4-thiazolylmethyl)-proline?
The CAS number of Boc-(S)-alpha-(4-thiazolylmethyl)-proline is 1217628-22-2.
What is the molecular formula of Boc-(S)-alpha-(4-thiazolylmethyl)-proline?
The molecular formula of Boc-(S)-alpha-(4-thiazolylmethyl)-proline is C14H20N2O4S.
What is the molecular weight of Boc-(S)-alpha-(4-thiazolylmethyl)-proline?
The molecular weight of Boc-(S)-alpha-(4-thiazolylmethyl)-proline is 312.11 g/mol.
Where can I buy Boc-(S)-alpha-(4-thiazolylmethyl)-proline?
You can request a quote for Boc-(S)-alpha-(4-thiazolylmethyl)-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Boc-(S)-alpha-(4-thiazolylmethyl)-proline?
Yes, KEHONG BIO provides custom synthesis services for Boc-(S)-alpha-(4-thiazolylmethyl)-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.