1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester
TL;DR: 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester (CAS 959263-54-8) is a chemical compound with molecular formula C13H21N3O4 and molecular weight 283.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate
Also Known As: 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester, 1-tert-Butyloxycarbonyl-imidazole-4-carbamic Acid tert-Butyl Ester, tert-Butyl 4-(tert-butoxycarbonylamino)-1H- imidazole-1-carboxylate, tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate, tert-Butyl 4-[(tert-butoxycarbonyl)amino]-1H-imidazole-1-carboxylate #
| Molecular Formula | C13H21N3O4 |
|---|---|
| Molecular Weight | 283.15 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 283.1532 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 959263-54-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CN(C=N1)C(=O)OC(C)(C)C |
| InChIKey | LSQGDPIVORJIQJ-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester (CAS 959263-54-8), with molecular formula C13H21N3O4 and molecular weight 283.15 g/mol. IUPAC: tert-butyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]imidazole-1-carboxylate.
Chemical Property Profile of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester
Property Insights of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester. Following Lipinski's Rule of Five, 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester 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 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester?
The CAS number of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester is 959263-54-8.
What is the molecular formula of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester?
The molecular formula of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester is C13H21N3O4.
What is the molecular weight of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester?
The molecular weight of 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester is 283.15 g/mol.
Where can I buy 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester?
You can request a quote for 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-carboxylic acid, 4-(t-butoxycarbonylamino)-, t-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.