Ethyl 5-cyano-2-(hydroxyimino)pentanoate
TL;DR: Ethyl 5-cyano-2-(hydroxyimino)pentanoate (CAS 6976-79-0) is a chemical compound with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate
Also Known As: Ethyl 5-cyano-2-(hydroxyimino)pentanoate, ethyl 5-cyano-2-hydroxyiminopentanoate, 5-cyano-2-hydroxybenzenecarboxylic acid, ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate, ethyl (2Z)-5-cyano-2-hydroxyimino-pentanoate
| Molecular Formula | C8H12N2O3 |
|---|---|
| Molecular Weight | 184.08 g/mol |
| LogP | 1.07358 |
| Topological Polar Surface Area | 82.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.0848 |
| Heavy Atoms | 13 |
| Complexity | 230.03386 |
Chemical Identifiers
| CAS Number | 6976-79-0 |
|---|---|
| SMILES | CCOC(=O)/C(=N\O)/CCCC#N |
Product Overview
Ethyl 5-cyano-2-(hydroxyimino)pentanoate (CAS 6976-79-0), with molecular formula C8H12N2O3 and molecular weight 184.08 g/mol. IUPAC: ethyl (2Z)-5-cyano-2-hydroxyiminopentanoate.
Chemical Property Profile of Ethyl 5-cyano-2-(hydroxyimino)pentanoate
Property Insights of Ethyl 5-cyano-2-(hydroxyimino)pentanoate
The XLogP value of 1.07358 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 5-cyano-2-(hydroxyimino)pentanoate. The TPSA of 82.68 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 5-cyano-2-(hydroxyimino)pentanoate. Following Lipinski's Rule of Five, Ethyl 5-cyano-2-(hydroxyimino)pentanoate has 1 hydrogen bond donor(s) and 5 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 5-cyano-2-(hydroxyimino)pentanoate?
The CAS number of Ethyl 5-cyano-2-(hydroxyimino)pentanoate is 6976-79-0.
What is the molecular formula of Ethyl 5-cyano-2-(hydroxyimino)pentanoate?
The molecular formula of Ethyl 5-cyano-2-(hydroxyimino)pentanoate is C8H12N2O3.
What is the molecular weight of Ethyl 5-cyano-2-(hydroxyimino)pentanoate?
The molecular weight of Ethyl 5-cyano-2-(hydroxyimino)pentanoate is 184.08 g/mol.
Where can I buy Ethyl 5-cyano-2-(hydroxyimino)pentanoate?
You can request a quote for Ethyl 5-cyano-2-(hydroxyimino)pentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 5-cyano-2-(hydroxyimino)pentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-cyano-2-(hydroxyimino)pentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.