tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate
TL;DR: tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate (CAS 74419-84-4) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[2-(2-cyano-1H-imidazol-5-yl)ethyl]carbamate
Also Known As: TERT-BUTYL2- ETHYLCARBAMATE, N-t-butyloxycarbonyl-2-cyanohistamine, tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate, tert-butyl N-[2-(2-cyano-1H-imidazol-5-yl)ethyl]carbamate, tert-Butyl [2-(2-cyano-1H-imidazol-5-yl)ethyl]carbamate
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 90.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 74419-84-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NCCC1=CN=C(N1)C#N |
| InChIKey | AAIJHKWQJYXQPS-UHFFFAOYSA-N |
Product Overview
tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate (CAS 74419-84-4), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: tert-butyl N-[2-(2-cyano-1H-imidazol-5-yl)ethyl]carbamate.
Chemical Property Profile of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate
Property Insights of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate. The TPSA of 90.8 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate. Following Lipinski's Rule of Five, tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate has 2 hydrogen bond donor(s) and 4 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 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate?
The CAS number of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate is 74419-84-4.
What is the molecular formula of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate?
The molecular formula of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate is C11H16N4O2.
What is the molecular weight of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate?
The molecular weight of tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate is 236.13 g/mol.
Where can I buy tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate?
You can request a quote for tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 2-(2-cyano-1H-imidazol-5-yl)ethylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.