5-(氰甲基)-1H-咪唑-4-甲腈
TL;DR: 5-(氰甲基)-1H-咪唑-4-甲腈 (CAS 52605-83-1) is a chemical compound with molecular formula C6H4N4 and molecular weight 132.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(氰甲基)-1H-咪唑-4-甲腈
5-(cyanomethyl)-1H-imidazole-4-carbonitrile
Also Known As: 5-(cyanomethyl)-1H-imidazole-4-carbonitrile
| Molecular Formula | C6H4N4 |
|---|---|
| Molecular Weight | 132.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 76.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 132.0436 |
| Heavy Atoms | 10 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 52605-83-1 |
|---|---|
| SMILES | C1=NC(=C(N1)CC#N)C#N |
| InChIKey | WZZINVSDRKNNJP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(氰甲基)-1H-咪唑-4-甲腈 (CAS 52605-83-1), with molecular formula C6H4N4 and molecular weight 132.04 g/mol. IUPAC: 5-(cyanomethyl)-1H-imidazole-4-carbonitrile.
Chemical Property Profile of 5-(氰甲基)-1H-咪唑-4-甲腈
Property Insights of 5-(氰甲基)-1H-咪唑-4-甲腈
The XLogP value of -0.2 indicates that 5-(氰甲基)-1H-咪唑-4-甲腈 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(氰甲基)-1H-咪唑-4-甲腈. Following Lipinski's Rule of Five, 5-(氰甲基)-1H-咪唑-4-甲腈 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 5-(氰甲基)-1H-咪唑-4-甲腈?
The CAS number of 5-(氰甲基)-1H-咪唑-4-甲腈 is 52605-83-1.
What is the molecular formula of 5-(氰甲基)-1H-咪唑-4-甲腈?
The molecular formula of 5-(氰甲基)-1H-咪唑-4-甲腈 is C6H4N4.
What is the molecular weight of 5-(氰甲基)-1H-咪唑-4-甲腈?
The molecular weight of 5-(氰甲基)-1H-咪唑-4-甲腈 is 132.04 g/mol.
Where can I buy 5-(氰甲基)-1H-咪唑-4-甲腈?
You can request a quote for 5-(氰甲基)-1H-咪唑-4-甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(氰甲基)-1H-咪唑-4-甲腈?
Yes, KEHONG BIO provides custom synthesis services for 5-(氰甲基)-1H-咪唑-4-甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.