Ethyl 4-nitrobutanoate
TL;DR: Ethyl 4-nitrobutanoate (CAS 2832-16-8) is a chemical compound with molecular formula C6H11NO4 and molecular weight 161.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-nitrobutanoate
Also Known As: Ethyl 4-nitrobutanoate, Ethyl 4-nitrobutyrate, Ethyl4-nitrobutanoate, Ethyl-3-nitro-1-propancarboxylat, 4-nitrobutyric acid ethyl ester
| Molecular Formula | C6H11NO4 |
|---|---|
| Molecular Weight | 161.07 g/mol |
| LogP | 0.6064 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 161.0688 |
| Heavy Atoms | 11 |
| Complexity | 145.51772 |
Chemical Identifiers
| CAS Number | 2832-16-8 |
|---|---|
| SMILES | CCOC(=O)CCC[N+](=O)[O-] |
Product Overview
Ethyl 4-nitrobutanoate (CAS 2832-16-8), with molecular formula C6H11NO4 and molecular weight 161.07 g/mol. IUPAC: ethyl 4-nitrobutanoate.
Chemical Property Profile of Ethyl 4-nitrobutanoate
Property Insights of Ethyl 4-nitrobutanoate
The XLogP value of 0.6064 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-nitrobutanoate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-nitrobutanoate. Following Lipinski's Rule of Five, Ethyl 4-nitrobutanoate has 0 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 4-nitrobutanoate?
The CAS number of Ethyl 4-nitrobutanoate is 2832-16-8.
What is the molecular formula of Ethyl 4-nitrobutanoate?
The molecular formula of Ethyl 4-nitrobutanoate is C6H11NO4.
What is the molecular weight of Ethyl 4-nitrobutanoate?
The molecular weight of Ethyl 4-nitrobutanoate is 161.07 g/mol.
Where can I buy Ethyl 4-nitrobutanoate?
You can request a quote for Ethyl 4-nitrobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-nitrobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-nitrobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.