ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
TL;DR: ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate (CAS 5982-65-0) is a chemical compound with molecular formula C7H13N3O3 and molecular weight 187.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(carbamoylhydrazinylidene)butanoate
Also Known As: ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate, ethyl 3-(carbamoylhydrazinylidene)butanoate, Acetoacetic acid, ethyl ester, semicarbazone, ethyl 3-[(E)-2-(aminocarbonyl)hydrazono]butanoate, Acetoacetic acid, ethyl ester, 3-semicarbazone
| Molecular Formula | C7H13N3O3 |
|---|---|
| Molecular Weight | 187.10 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 93.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 187.09569 |
| Heavy Atoms | 13 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 5982-65-0 |
|---|---|
| SMILES | CCOC(=O)CC(=NNC(=O)N)C |
| InChIKey | BSUHPUZHTUIERW-UHFFFAOYSA-N |
Product Overview
ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate (CAS 5982-65-0), with molecular formula C7H13N3O3 and molecular weight 187.10 g/mol. IUPAC: ethyl 3-(carbamoylhydrazinylidene)butanoate.
Chemical Property Profile of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
Property Insights of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate
The XLogP value of -0.4 indicates that ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.8 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate. Following Lipinski's Rule of Five, ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate has 2 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 (3E)-3-(carbamoylhydrazinylidene)butanoate?
The CAS number of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate is 5982-65-0.
What is the molecular formula of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate?
The molecular formula of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate is C7H13N3O3.
What is the molecular weight of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate?
The molecular weight of ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate is 187.10 g/mol.
Where can I buy ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate?
You can request a quote for ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (3E)-3-(carbamoylhydrazinylidene)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.