tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate
TL;DR: tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate (CAS 66787-73-3) is a chemical compound with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-(3-methylimidazol-4-yl)carbamate
Also Known As: tert-Butyl (1-methyl-1H-imidazol-5-yl)carbamate, N-Boc-1-methyl-1H-imidazol-5-amine, tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate, tert-Butyl 1-methyl-1H-imidazol-5-ylcarbamate, tert-butyl N-(3-methylimidazol-4-yl)carbamate
| Molecular Formula | C9H15N3O2 |
|---|---|
| Molecular Weight | 197.12 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 56.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.11642 |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 66787-73-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=CN=CN1C |
| InChIKey | PEKVFQUSUDBNKI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate (CAS 66787-73-3), with molecular formula C9H15N3O2 and molecular weight 197.12 g/mol. IUPAC: tert-butyl N-(3-methylimidazol-4-yl)carbamate.
Chemical Property Profile of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate
Property Insights of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate. With a topological polar surface area (TPSA) of 56.2 Ų, tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate has 1 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-(1-methyl-1H-imidazol-5-yl)carbamate?
The CAS number of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate is 66787-73-3.
What is the molecular formula of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate?
The molecular formula of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate is C9H15N3O2.
What is the molecular weight of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate?
The molecular weight of tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate is 197.12 g/mol.
Where can I buy tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate?
You can request a quote for tert-butyl N-(1-methyl-1H-imidazol-5-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-(1-methyl-1H-imidazol-5-yl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-(1-methyl-1H-imidazol-5-yl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.