tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate
TL;DR: tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate (CAS 330953-79-2) is a chemical compound with molecular formula C8H12FN3O2 and molecular weight 201.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(5-fluoro-1H-imidazol-4-yl)carbamate
Also Known As: tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate, Imidazole, 5-t-buyloxycarbonylamino-4-fluoro-, tert-Butyl 4-fluoro-1H-imidazol-5-ylcarbamate, tert-Butyl 4-fluoro-1H-imidazol-5-ylcarbamate #, 2-Methyl-2-propanyl (5-fluoro-1H-imidazol-4-yl)carbamate
| Molecular Formula | C8H12FN3O2 |
|---|---|
| Molecular Weight | 201.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.09135 |
| Heavy Atoms | 14 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 330953-79-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=C(NC=N1)F |
| InChIKey | ZRIGANYWEOWTHL-UHFFFAOYSA-N |
Product Overview
tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate (CAS 330953-79-2), with molecular formula C8H12FN3O2 and molecular weight 201.09 g/mol. IUPAC: tert-butyl N-(5-fluoro-1H-imidazol-4-yl)carbamate.
Chemical Property Profile of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate
Property Insights of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate. The TPSA of 67.0 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate. Following Lipinski's Rule of Five, tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate 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 (5-fluoro-1H-imidazol-4-yl)carbamate?
The CAS number of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate is 330953-79-2.
What is the molecular formula of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate?
The molecular formula of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate is C8H12FN3O2.
What is the molecular weight of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate?
The molecular weight of tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate is 201.09 g/mol.
Where can I buy tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate?
You can request a quote for tert-butyl (5-fluoro-1H-imidazol-4-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 (5-fluoro-1H-imidazol-4-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl (5-fluoro-1H-imidazol-4-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.