(E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate
TL;DR: (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate (CAS 90559-55-0) is a chemical compound with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E)-2-hydroxyimino-3-pyrimidin-4-ylpropanoate
Also Known As: (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate
| Molecular Formula | C9H11N3O3 |
|---|---|
| Molecular Weight | 209.08 g/mol |
| LogP | 0.4124 |
| Topological Polar Surface Area | 84.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.08005 |
| Heavy Atoms | 15 |
| Complexity | 350.88 |
Chemical Identifiers
| CAS Number | 90559-55-0 |
|---|---|
| SMILES | CCOC(=O)/C(=N/O)/CC1=NC=NC=C1 |
Product Overview
(E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate (CAS 90559-55-0), with molecular formula C9H11N3O3 and molecular weight 209.08 g/mol. IUPAC: ethyl (2E)-2-hydroxyimino-3-pyrimidin-4-ylpropanoate.
Chemical Property Profile of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate
Property Insights of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate
The XLogP value of 0.4124 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate. The TPSA of 84.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate. Following Lipinski's Rule of Five, (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate 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 (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate?
The CAS number of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate is 90559-55-0.
What is the molecular formula of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate?
The molecular formula of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate is C9H11N3O3.
What is the molecular weight of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate?
The molecular weight of (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate is 209.08 g/mol.
Where can I buy (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate?
You can request a quote for (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-Ethyl 2-(hydroxyimino)-3-(pyrimidin-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.