4-Chloroimidazole
TL;DR: 4-Chloroimidazole (CAS 15965-31-8) is a chemical compound with molecular formula C3H3ClN2 and molecular weight 102.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-1H-imidazole
Also Known As: 4-chloroimidazole, 5-chloro-1H-imidazole, 4-chloro-1H-imidazole, 4-Cl-pyrazole, 5-chloroimidazole
| Molecular Formula | C3H3ClN2 |
|---|---|
| Molecular Weight | 102.00 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 28.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 101.998474 |
| Heavy Atoms | 6 |
| Complexity | 48.0 |
Chemical Identifiers
| CAS Number | 15965-31-8 |
|---|---|
| SMILES | C1=C(NC=N1)Cl |
| InChIKey | BQRBAXFOPZRMCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloroimidazole (CAS 15965-31-8), with molecular formula C3H3ClN2 and molecular weight 102.00 g/mol. IUPAC: 5-chloro-1H-imidazole.
Chemical Property Profile of 4-Chloroimidazole
Property Insights of 4-Chloroimidazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloroimidazole. With a topological polar surface area (TPSA) of 28.7 Ų, 4-Chloroimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloroimidazole 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-Chloroimidazole?
The CAS number of 4-Chloroimidazole is 15965-31-8.
What is the molecular formula of 4-Chloroimidazole?
The molecular formula of 4-Chloroimidazole is C3H3ClN2.
What is the molecular weight of 4-Chloroimidazole?
The molecular weight of 4-Chloroimidazole is 102.00 g/mol.
Where can I buy 4-Chloroimidazole?
You can request a quote for 4-Chloroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.