1-(5-chloro-1H-imidazol-4-yl)ethanone
TL;DR: 1-(5-chloro-1H-imidazol-4-yl)ethanone (CAS 500862-73-7) is a chemical compound with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5-chloro-1H-imidazol-4-yl)ethanone
Also Known As: 1-(5-chloro-1H-imidazol-4-yl)ethanone, 1-(4-Chloro-1H-imidazol-5-yl)ethan-1-one
| Molecular Formula | C5H5ClN2O |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.00903 |
| Heavy Atoms | 9 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 500862-73-7 |
|---|---|
| SMILES | CC(=O)C1=C(NC=N1)Cl |
| InChIKey | YOWPTQXUKXIHLT-UHFFFAOYSA-N |
Product Overview
1-(5-chloro-1H-imidazol-4-yl)ethanone (CAS 500862-73-7), with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol. IUPAC: 1-(5-chloro-1H-imidazol-4-yl)ethanone.
Chemical Property Profile of 1-(5-chloro-1H-imidazol-4-yl)ethanone
Property Insights of 1-(5-chloro-1H-imidazol-4-yl)ethanone
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(5-chloro-1H-imidazol-4-yl)ethanone. With a topological polar surface area (TPSA) of 45.8 Ų, 1-(5-chloro-1H-imidazol-4-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(5-chloro-1H-imidazol-4-yl)ethanone has 1 hydrogen bond donor(s) and 2 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 1-(5-chloro-1H-imidazol-4-yl)ethanone?
The CAS number of 1-(5-chloro-1H-imidazol-4-yl)ethanone is 500862-73-7.
What is the molecular formula of 1-(5-chloro-1H-imidazol-4-yl)ethanone?
The molecular formula of 1-(5-chloro-1H-imidazol-4-yl)ethanone is C5H5ClN2O.
What is the molecular weight of 1-(5-chloro-1H-imidazol-4-yl)ethanone?
The molecular weight of 1-(5-chloro-1H-imidazol-4-yl)ethanone is 144.01 g/mol.
Where can I buy 1-(5-chloro-1H-imidazol-4-yl)ethanone?
You can request a quote for 1-(5-chloro-1H-imidazol-4-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(5-chloro-1H-imidazol-4-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(5-chloro-1H-imidazol-4-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.