t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline
TL;DR: t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline (CAS 4583-13-5) is a chemical compound with molecular formula C21H28N2O7 and molecular weight 420.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
Also Known As: t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline, 1-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid
| Molecular Formula | C21H28N2O7 |
|---|---|
| Molecular Weight | 420.19 g/mol |
| LogP | 2.0888 |
| Topological Polar Surface Area | 122.24 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 420.18964 |
| Heavy Atoms | 30 |
| Complexity | 773.3096 |
Chemical Identifiers
| CAS Number | 4583-13-5 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC(C(=O)N1CCCC1C(=O)O)NC(=O)OCC2=CC=CC=C2 |
Product Overview
t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline (CAS 4583-13-5), with molecular formula C21H28N2O7 and molecular weight 420.19 g/mol. IUPAC: 1-[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]pyrrolidine-2-carboxylic acid.
Chemical Property Profile of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline
Property Insights of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline
The XLogP value of 2.0888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline. The TPSA of 122.24 Ų falls within the moderate polarity range, balancing permeability and solubility for t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline. Following Lipinski's Rule of Five, t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline has 2 hydrogen bond donor(s) and 6 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 t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline?
The CAS number of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline is 4583-13-5.
What is the molecular formula of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline?
The molecular formula of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline is C21H28N2O7.
What is the molecular weight of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline?
The molecular weight of t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline is 420.19 g/mol.
Where can I buy t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline?
You can request a quote for t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline?
Yes, KEHONG BIO provides custom synthesis services for t-Butyl-N-carbobenzyloxy-L-aspartyl-L-proline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.