tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester
TL;DR: tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester (CAS 142453-08-5) is a chemical compound with molecular formula C20H30N4O8 and molecular weight 454.20636 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl (2S)-2-[[2-(2,5-dioxopyrrolidin-1-yl)acetyl]-[(2-methylpropan-2-yl)oxycarbonyl-[(2S)-pyrrolidine-2-carbonyl]amino]amino]propanoate
Also Known As: Bpagaome, Boc-pro-asu-gly-ala-ome, tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester, tert-Butyloxycarbonylprolylaminosuccinylglycylalanine methyl ester, tert-Butyloxycarbonyl-L-prolyl-L-aminosuccinyl-glycyl-L-alanine methyl ester
Technical Specifications
| Molecular Formula | C20H30N4O8 |
| Molecular Weight | 454.20636 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 143.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.20636 Da |
| Heavy Atoms | 32 |
| Complexity | 790.0 |
| SMILES | C[C@@H](C(=O)OC)N(C(=O)CN1C(=O)CCC1=O)N(C(=O)[C@@H]2CCCN2)C(=O)OC(C)(C)C |
| InChIKey | OWSCRYZTKYSSOC-STQMWFEESA-N |
Chemical Property Profile of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester
Property Insights of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester. The TPSA of 143.0 Ų indicates high polarity, suggesting tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester?
The CAS number of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester is 142453-08-5.
What is the molecular formula of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester?
The molecular formula of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester is C20H30N4O8.
What is the molecular weight of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester?
The molecular weight of tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester is 454.20636 g/mol.
Where can I buy tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester?
You can request a quote for tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester?
Yes, CoreyChem provides custom synthesis services for tert-Butyloxycarbonyl-prolyl-aminosuccinyl-glycyl-alanine methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.