![Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate structure](/static/products/4706/4706-29-0.webp)
Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate
TL;DR: Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate (CAS 4706-29-0) is a chemical compound with molecular formula C12H14ClNO5 and molecular weight 287.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate
Also Known As: 3-Methyl-2-sulphonatobenzothiazolium, ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate, ethyl 2-{4-chloro-2-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate, 3-methyl-1,3-benzothiazol-3-ium-2-sulfonate, Ethyl {4-chloro-2-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate
| Molecular Formula | C12H14ClNO5 |
|---|---|
| Molecular Weight | 287.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 77.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 287.05606 |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 4706-29-0 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1OC)Cl)C=NO |
| InChIKey | OJYOXWFALNHYGF-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate (CAS 4706-29-0), with molecular formula C12H14ClNO5 and molecular weight 287.06 g/mol. IUPAC: ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate.
Chemical Property Profile of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate
Property Insights of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate. The TPSA of 77.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate. Following Lipinski's Rule of Five, Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate has 1 hydrogen bond donor(s) and 6 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-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate?
The CAS number of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate is 4706-29-0.
What is the molecular formula of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate?
The molecular formula of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate is C12H14ClNO5.
What is the molecular weight of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate?
The molecular weight of Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate is 287.06 g/mol.
Where can I buy Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate?
You can request a quote for Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]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-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[4-chloro-2-(hydroxyiminomethyl)-6-methoxyphenoxy]acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.