tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate
TL;DR: tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate (CAS 885955-96-4) is a chemical compound with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(5-phenyl-1H-imidazol-2-yl)carbamate
Also Known As: (4-Phenyl-1H-imidazol-2-yl)-carbamic acid tert-butyl ester, TERT-BUTYL N-(4-PHENYL-1H-IMIDAZOL-2-YL)CARBAMATE, tert-butyl N-(5-phenyl-1H-imidazol-2-yl)carbamate, tert-butylN-(4-phenyl-1H-imidazol-2-yl)carbamate, Tert-butyl N-(4-phenyl-3H-imidazol-2-yl)carbamate
| Molecular Formula | C14H17N3O2 |
|---|---|
| Molecular Weight | 259.13 g/mol |
| LogP | 3.4237 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.13208 |
| Heavy Atoms | 19 |
| Complexity | 555.57007 |
Chemical Identifiers
| CAS Number | 885955-96-4 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=NC=C(N1)C2=CC=CC=C2 |
Product Overview
tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate (CAS 885955-96-4), with molecular formula C14H17N3O2 and molecular weight 259.13 g/mol. IUPAC: tert-butyl N-(5-phenyl-1H-imidazol-2-yl)carbamate.
Chemical Property Profile of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate
Property Insights of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate
The XLogP value of 3.4237 indicates that tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate. Following Lipinski's Rule of Five, tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate has 2 hydrogen bond donor(s) and 3 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 N-(4-phenyl-1H-imidazol-2-yl)carbamate?
The CAS number of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate is 885955-96-4.
What is the molecular formula of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate?
The molecular formula of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate is C14H17N3O2.
What is the molecular weight of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate?
The molecular weight of tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate is 259.13 g/mol.
Where can I buy tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate?
You can request a quote for tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(4-phenyl-1H-imidazol-2-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.