4-(2-chloroethyl)-1H-imidazole
TL;DR: 4-(2-chloroethyl)-1H-imidazole (CAS 6429-10-3) is a chemical compound with molecular formula C5H7ClN2 and molecular weight 130.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-chloroethyl)-1H-imidazole
Also Known As: 4-(2-chloroethyl)-1H-imidazole, 5-(2-chloroethyl)-1H-imidazole, 4-(2-Chloroethyl)imidazole, 4-(2-Chloraethyl)-imidazol, 1H-Imidazole, 4-(2-chloroethyl)-
| Molecular Formula | C5H7ClN2 |
|---|---|
| Molecular Weight | 130.03 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.02977 |
| Heavy Atoms | 8 |
| Complexity | 67.0 |
Chemical Identifiers
| CAS Number | 6429-10-3 |
|---|---|
| SMILES | C1=C(NC=N1)CCCl |
| InChIKey | LJBSKUABXVDRGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-chloroethyl)-1H-imidazole (CAS 6429-10-3), with molecular formula C5H7ClN2 and molecular weight 130.03 g/mol. IUPAC: 5-(2-chloroethyl)-1H-imidazole.
Chemical Property Profile of 4-(2-chloroethyl)-1H-imidazole
Property Insights of 4-(2-chloroethyl)-1H-imidazole
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-chloroethyl)-1H-imidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-(2-chloroethyl)-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-chloroethyl)-1H-imidazole 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 4-(2-chloroethyl)-1H-imidazole?
The CAS number of 4-(2-chloroethyl)-1H-imidazole is 6429-10-3.
What is the molecular formula of 4-(2-chloroethyl)-1H-imidazole?
The molecular formula of 4-(2-chloroethyl)-1H-imidazole is C5H7ClN2.
What is the molecular weight of 4-(2-chloroethyl)-1H-imidazole?
The molecular weight of 4-(2-chloroethyl)-1H-imidazole is 130.03 g/mol.
Where can I buy 4-(2-chloroethyl)-1H-imidazole?
You can request a quote for 4-(2-chloroethyl)-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-chloroethyl)-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-chloroethyl)-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.