Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate
TL;DR: Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate (CAS 87374-67-2) is a chemical compound with molecular formula C14H17NO7 and molecular weight 311.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-4-oxobutanoate
Also Known As: ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate, ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-4-oxobutanoate, AP-065/41884043
| Molecular Formula | C14H17NO7 |
|---|---|
| Molecular Weight | 311.10 g/mol |
| LogP | 2.138 |
| Topological Polar Surface Area | 104.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 311.1005 |
| Heavy Atoms | 22 |
| Complexity | 582.79926 |
Chemical Identifiers
| CAS Number | 87374-67-2 |
|---|---|
| SMILES | CCOC(=O)CCC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC |
Product Overview
Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate (CAS 87374-67-2), with molecular formula C14H17NO7 and molecular weight 311.10 g/mol. IUPAC: ethyl 4-(4,5-dimethoxy-2-nitrophenyl)-4-oxobutanoate.
Chemical Property Profile of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate
Property Insights of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate
The XLogP value of 2.138 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate. The TPSA of 104.97 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate. Following Lipinski's Rule of Five, Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate has 0 hydrogen bond donor(s) and 7 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-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate?
The CAS number of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate is 87374-67-2.
What is the molecular formula of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate?
The molecular formula of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate is C14H17NO7.
What is the molecular weight of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate?
The molecular weight of Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate is 311.10 g/mol.
Where can I buy Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate?
You can request a quote for Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-{2-nitro-4,5-dimethoxyphenyl}-4-oxobutanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.