2-Chloroacetaldehyde O-acetyloxime
TL;DR: 2-Chloroacetaldehyde O-acetyloxime (CAS 33779-80-5) is a chemical compound with molecular formula C4H6ClNO2 and molecular weight 135.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloroethylideneamino) acetate
Also Known As: Chloroacetaldehyde O-acetyloxime, Chloroacetaldehyde O-acetyl oxime, 2-Chloroacetaldehyde O-acetyloxime, Acetaldehyde,2-chloro-, O-acetyloxime, 1-{[(2-Chloroethylidene)amino]oxy}ethan-1-one
| Molecular Formula | C4H6ClNO2 |
|---|---|
| Molecular Weight | 135.01 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 135.00871 |
| Heavy Atoms | 8 |
| Complexity | 102.0 |
Chemical Identifiers
| CAS Number | 33779-80-5 |
|---|---|
| SMILES | CC(=O)ON=CCCl |
| InChIKey | NNZSYRJHOFUIEM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroacetaldehyde O-acetyloxime (CAS 33779-80-5), with molecular formula C4H6ClNO2 and molecular weight 135.01 g/mol. IUPAC: (2-chloroethylideneamino) acetate.
Chemical Property Profile of 2-Chloroacetaldehyde O-acetyloxime
Property Insights of 2-Chloroacetaldehyde O-acetyloxime
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroacetaldehyde O-acetyloxime. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Chloroacetaldehyde O-acetyloxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroacetaldehyde O-acetyloxime has 0 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 2-Chloroacetaldehyde O-acetyloxime?
The CAS number of 2-Chloroacetaldehyde O-acetyloxime is 33779-80-5.
What is the molecular formula of 2-Chloroacetaldehyde O-acetyloxime?
The molecular formula of 2-Chloroacetaldehyde O-acetyloxime is C4H6ClNO2.
What is the molecular weight of 2-Chloroacetaldehyde O-acetyloxime?
The molecular weight of 2-Chloroacetaldehyde O-acetyloxime is 135.01 g/mol.
Where can I buy 2-Chloroacetaldehyde O-acetyloxime?
You can request a quote for 2-Chloroacetaldehyde O-acetyloxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloroacetaldehyde O-acetyloxime?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroacetaldehyde O-acetyloxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.