![Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate structure](/static/products/445/445000-99-7.png)
Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate
TL;DR: Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate (CAS 445000-99-7) is a chemical compound with molecular formula C12H14BrNO5 and molecular weight 331.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2-bromo-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]acetate
Also Known As: ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate, ethyl 2-[2-bromo-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]acetate, ethyl {2-bromo-4-[(E)-(hydroxyimino)methyl]-6-methoxyphenoxy}acetate
| Molecular Formula | C12H14BrNO5 |
|---|---|
| Molecular Weight | 331.01 g/mol |
| LogP | 2.2077 |
| Topological Polar Surface Area | 77.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 331.00555 |
| Heavy Atoms | 19 |
| Complexity | 475.4327 |
Chemical Identifiers
| CAS Number | 445000-99-7 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C=C1Br)/C=N/O)OC |
Product Overview
Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate (CAS 445000-99-7), with molecular formula C12H14BrNO5 and molecular weight 331.01 g/mol. IUPAC: ethyl 2-[2-bromo-4-[(E)-hydroxyiminomethyl]-6-methoxyphenoxy]acetate.
Chemical Property Profile of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate
Property Insights of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate
The XLogP value of 2.2077 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate. The TPSA of 77.35 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate. Following Lipinski's Rule of Five, Ethyl {2-bromo-4-[(hydroxyimino)methyl]-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-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate?
The CAS number of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate is 445000-99-7.
What is the molecular formula of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate?
The molecular formula of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate is C12H14BrNO5.
What is the molecular weight of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate?
The molecular weight of Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate is 331.01 g/mol.
Where can I buy Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate?
You can request a quote for Ethyl {2-bromo-4-[(hydroxyimino)methyl]-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-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl {2-bromo-4-[(hydroxyimino)methyl]-6-methoxyphenoxy}acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.