5-溴-1-甲基咪唑
TL;DR: 5-溴-1-甲基咪唑 (CAS 1003-21-0) is a chemical compound with molecular formula C4H5BrN2 and molecular weight 159.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-溴-1-甲基咪唑
4-bromo-5-methyl-1H-imidazole
Also Known As: 5-Bromo-4-methyl-1H-imidazole, 4-Bromo-5-methyl-1H-imidazole, 4-Bromo-5-methylimidazole, 4-Methyl-5-bromoimidazole, 4(5)-Bromo-5(4)-methyl-imidazole
| Molecular Formula | C4H5BrN2 |
|---|---|
| Molecular Weight | 159.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 159.96361 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 1003-21-0 |
|---|---|
| SMILES | CC1=C(N=CN1)Br |
| InChIKey | APWKDMLCPWYWKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-溴-1-甲基咪唑 (CAS 1003-21-0), with molecular formula C4H5BrN2 and molecular weight 159.96 g/mol. IUPAC: 4-bromo-5-methyl-1H-imidazole.
Chemical Property Profile of 5-溴-1-甲基咪唑
Property Insights of 5-溴-1-甲基咪唑
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-溴-1-甲基咪唑. With a topological polar surface area (TPSA) of 28.7 Ų, 5-溴-1-甲基咪唑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-溴-1-甲基咪唑 has 1 hydrogen bond donor(s) and 1 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 5-溴-1-甲基咪唑?
The CAS number of 5-溴-1-甲基咪唑 is 1003-21-0.
What is the molecular formula of 5-溴-1-甲基咪唑?
The molecular formula of 5-溴-1-甲基咪唑 is C4H5BrN2.
What is the molecular weight of 5-溴-1-甲基咪唑?
The molecular weight of 5-溴-1-甲基咪唑 is 159.96 g/mol.
Where can I buy 5-溴-1-甲基咪唑?
You can request a quote for 5-溴-1-甲基咪唑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-溴-1-甲基咪唑?
Yes, KEHONG BIO provides custom synthesis services for 5-溴-1-甲基咪唑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.