Chloroacetone oxime
TL;DR: Chloroacetone oxime (CAS 671-59-0) is a chemical compound with molecular formula C3H6ClNO and molecular weight 107.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1-chloropropan-2-ylidene)hydroxylamine
Also Known As: chloroacetone oxime, chloropropanone oxime, 1-Chloro-2-propanoneoxime, 2-Propanone, 1-chloro-, oxime, N-(1-chloropropan-2-ylidene)hydroxylamine
| Molecular Formula | C3H6ClNO |
|---|---|
| Molecular Weight | 107.01 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 107.013794 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 671-59-0 |
|---|---|
| SMILES | CC(=NO)CCl |
| InChIKey | ADYDCWWHQBOFHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloroacetone oxime (CAS 671-59-0), with molecular formula C3H6ClNO and molecular weight 107.01 g/mol. IUPAC: N-(1-chloropropan-2-ylidene)hydroxylamine.
Chemical Property Profile of Chloroacetone oxime
Property Insights of Chloroacetone oxime
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloroacetone oxime. With a topological polar surface area (TPSA) of 32.6 Ų, Chloroacetone oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloroacetone oxime 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 Chloroacetone oxime?
The CAS number of Chloroacetone oxime is 671-59-0.
What is the molecular formula of Chloroacetone oxime?
The molecular formula of Chloroacetone oxime is C3H6ClNO.
What is the molecular weight of Chloroacetone oxime?
The molecular weight of Chloroacetone oxime is 107.01 g/mol.
Where can I buy Chloroacetone oxime?
You can request a quote for Chloroacetone oxime directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloroacetone oxime?
Yes, KEHONG BIO provides custom synthesis services for Chloroacetone oxime and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.