2-Chloro-1-(1H-imidazol-1-yl)ethanone
TL;DR: 2-Chloro-1-(1H-imidazol-1-yl)ethanone (CAS 31059-09-3) 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.
2-chloro-1-imidazol-1-ylethanone
Also Known As: 1-(chloroacetyl)-1H-imidazole, 2-chloro-1-imidazol-1-ylethanone, 2-chloro-1-imidazol-1-yl-ethanone, 2-Chloro-1-(1H-imidazol-1-yl)ethanone, 1H-Imidazole, 1-(chloroacetyl)- (9CI)
| Molecular Formula | C5H5ClN2O |
|---|---|
| Molecular Weight | 144.01 g/mol |
| LogP | 0.7621 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 144.00903 |
| Heavy Atoms | 9 |
| Complexity | 194.73273 |
Chemical Identifiers
| CAS Number | 31059-09-3 |
|---|---|
| SMILES | C1=CN(C=N1)C(=O)CCl |
Product Overview
2-Chloro-1-(1H-imidazol-1-yl)ethanone (CAS 31059-09-3), with molecular formula C5H5ClN2O and molecular weight 144.01 g/mol. IUPAC: 2-chloro-1-imidazol-1-ylethanone.
Chemical Property Profile of 2-Chloro-1-(1H-imidazol-1-yl)ethanone
Property Insights of 2-Chloro-1-(1H-imidazol-1-yl)ethanone
The XLogP value of 0.7621 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-(1H-imidazol-1-yl)ethanone. With a topological polar surface area (TPSA) of 34.89 Ų, 2-Chloro-1-(1H-imidazol-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-(1H-imidazol-1-yl)ethanone has 0 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 2-Chloro-1-(1H-imidazol-1-yl)ethanone?
The CAS number of 2-Chloro-1-(1H-imidazol-1-yl)ethanone is 31059-09-3.
What is the molecular formula of 2-Chloro-1-(1H-imidazol-1-yl)ethanone?
The molecular formula of 2-Chloro-1-(1H-imidazol-1-yl)ethanone is C5H5ClN2O.
What is the molecular weight of 2-Chloro-1-(1H-imidazol-1-yl)ethanone?
The molecular weight of 2-Chloro-1-(1H-imidazol-1-yl)ethanone is 144.01 g/mol.
Where can I buy 2-Chloro-1-(1H-imidazol-1-yl)ethanone?
You can request a quote for 2-Chloro-1-(1H-imidazol-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-(1H-imidazol-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-(1H-imidazol-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.