Threonyl-(O-tert-butyl)-phenylalanyl-proline
TL;DR: Threonyl-(O-tert-butyl)-phenylalanyl-proline (CAS 38510-47-3) is a chemical compound with molecular formula C22H33N3O5 and molecular weight 419.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid
Also Known As: Thr-(O-tert butyl)-phe-pro-OH, Threonyl-(O-tert-butyl)-phenylalanyl-proline, Dimethyl(naphthylmethyl)tetradecylammonium chloride, L-Proline, 1-(N-(O-(1,1-dimethylethyl)-L-threonyl)-L-phenylalanyl)-, 1-(N-(O-(TERT-BUTYL)-L-THREONYL)-L-PHENYLALANYL)-L-PROLINE
| Molecular Formula | C22H33N3O5 |
|---|---|
| Molecular Weight | 419.24 g/mol |
| LogP | 1.3204 |
| Topological Polar Surface Area | 121.96 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 419.24203 |
| Heavy Atoms | 30 |
| Complexity | 746.88995 |
Chemical Identifiers
| CAS Number | 38510-47-3 |
|---|---|
| SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)O)N)OC(C)(C)C |
Product Overview
Threonyl-(O-tert-butyl)-phenylalanyl-proline (CAS 38510-47-3), with molecular formula C22H33N3O5 and molecular weight 419.24 g/mol. IUPAC: (2S)-1-[(2S)-2-[[(2S,3R)-2-amino-3-[(2-methylpropan-2-yl)oxy]butanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of Threonyl-(O-tert-butyl)-phenylalanyl-proline
Property Insights of Threonyl-(O-tert-butyl)-phenylalanyl-proline
The XLogP value of 1.3204 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Threonyl-(O-tert-butyl)-phenylalanyl-proline. The TPSA of 121.96 Ų falls within the moderate polarity range, balancing permeability and solubility for Threonyl-(O-tert-butyl)-phenylalanyl-proline. Following Lipinski's Rule of Five, Threonyl-(O-tert-butyl)-phenylalanyl-proline has 3 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 Threonyl-(O-tert-butyl)-phenylalanyl-proline?
The CAS number of Threonyl-(O-tert-butyl)-phenylalanyl-proline is 38510-47-3.
What is the molecular formula of Threonyl-(O-tert-butyl)-phenylalanyl-proline?
The molecular formula of Threonyl-(O-tert-butyl)-phenylalanyl-proline is C22H33N3O5.
What is the molecular weight of Threonyl-(O-tert-butyl)-phenylalanyl-proline?
The molecular weight of Threonyl-(O-tert-butyl)-phenylalanyl-proline is 419.24 g/mol.
Where can I buy Threonyl-(O-tert-butyl)-phenylalanyl-proline?
You can request a quote for Threonyl-(O-tert-butyl)-phenylalanyl-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Threonyl-(O-tert-butyl)-phenylalanyl-proline?
Yes, KEHONG BIO provides custom synthesis services for Threonyl-(O-tert-butyl)-phenylalanyl-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.