Ethyl 2-chloro-2-(hydroxyimino)acetate
TL;DR: Ethyl 2-chloro-2-(hydroxyimino)acetate (CAS 95080-93-6) is a chemical compound with molecular formula C4H6ClNO3 and molecular weight 151.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-chloro-2-hydroxyiminoacetate
Also Known As: Chloro oxime, Ethyl 2-chloro-2-(hydroxyimino)acetate, Ethyl chlorooximidoacetate, Ethylchloroximidoacetate, Ethyl chlorooximinoacetate
| Molecular Formula | C4H6ClNO3 |
|---|---|
| Molecular Weight | 151.00 g/mol |
| LogP | 0.576 |
| Topological Polar Surface Area | 58.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 151.00362 |
| Heavy Atoms | 9 |
| Complexity | 133.77444 |
Chemical Identifiers
| CAS Number | 95080-93-6 |
|---|---|
| SMILES | CCOC(=O)/C(=N\O)/Cl |
Product Overview
Ethyl 2-chloro-2-(hydroxyimino)acetate (CAS 95080-93-6), with molecular formula C4H6ClNO3 and molecular weight 151.00 g/mol. IUPAC: ethyl (2E)-2-chloro-2-hydroxyiminoacetate.
Chemical Property Profile of Ethyl 2-chloro-2-(hydroxyimino)acetate
Property Insights of Ethyl 2-chloro-2-(hydroxyimino)acetate
The XLogP value of 0.576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chloro-2-(hydroxyimino)acetate. With a topological polar surface area (TPSA) of 58.89 Ų, Ethyl 2-chloro-2-(hydroxyimino)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-chloro-2-(hydroxyimino)acetate has 1 hydrogen bond donor(s) and 4 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 Ethyl 2-chloro-2-(hydroxyimino)acetate?
The CAS number of Ethyl 2-chloro-2-(hydroxyimino)acetate is 95080-93-6.
What is the molecular formula of Ethyl 2-chloro-2-(hydroxyimino)acetate?
The molecular formula of Ethyl 2-chloro-2-(hydroxyimino)acetate is C4H6ClNO3.
What is the molecular weight of Ethyl 2-chloro-2-(hydroxyimino)acetate?
The molecular weight of Ethyl 2-chloro-2-(hydroxyimino)acetate is 151.00 g/mol.
Where can I buy Ethyl 2-chloro-2-(hydroxyimino)acetate?
You can request a quote for Ethyl 2-chloro-2-(hydroxyimino)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chloro-2-(hydroxyimino)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chloro-2-(hydroxyimino)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.