![tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate structure](/static/products/1271/127119-12-4.webp)
tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate
TL;DR: tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate (CAS 127119-12-4) is a chemical compound with molecular formula C15H25N3O4 and molecular weight 311.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate
Also Known As: N,N'-Di(tert-Butoxycarbonyl)-histamine, synthetic, AI-942/42301869, tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate, 1-t-Butoxycarbonyl-4-[2-(t-butoxycarbonylamino)ethyl]imidazole, 1-t-Butoxycarbonyl-4-{2-(t-butoxycarbonyl-amino)ethyl}imidazole
| Molecular Formula | C15H25N3O4 |
|---|---|
| Molecular Weight | 311.18 g/mol |
| LogP | 2.7335 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1845 |
| Heavy Atoms | 22 |
| Complexity | 523.62524 |
Chemical Identifiers
| CAS Number | 127119-12-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=CN(C=N1)C(=O)OC(C)(C)C |
Product Overview
tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate (CAS 127119-12-4), with molecular formula C15H25N3O4 and molecular weight 311.18 g/mol. IUPAC: tert-butyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazole-1-carboxylate.
Chemical Property Profile of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate
Property Insights of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate
The XLogP value of 2.7335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate. Following Lipinski's Rule of Five, tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate 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 tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate?
The CAS number of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate is 127119-12-4.
What is the molecular formula of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate?
The molecular formula of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate is C15H25N3O4.
What is the molecular weight of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate?
The molecular weight of tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate is 311.18 g/mol.
Where can I buy tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate?
You can request a quote for tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 4-{2-[(tert-butoxycarbonyl)amino]ethyl}-1H-imidazole-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.