ethyl (E)-3-(3-nitroanilino)but-2-enoate
TL;DR: ethyl (E)-3-(3-nitroanilino)but-2-enoate (CAS 64334-94-7) is a chemical compound with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(3-nitroanilino)but-2-enoate
Also Known As: ethyl (E)-3-(3-nitroanilino)but-2-enoate, 2-Butenoic acid, 3-[(3-nitrophenyl)amino]-, ethyl ester
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 2.4736 |
| Topological Polar Surface Area | 81.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 482.72067 |
Chemical Identifiers
| CAS Number | 64334-94-7 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
ethyl (E)-3-(3-nitroanilino)but-2-enoate (CAS 64334-94-7), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: ethyl (E)-3-(3-nitroanilino)but-2-enoate.
Chemical Property Profile of ethyl (E)-3-(3-nitroanilino)but-2-enoate
Property Insights of ethyl (E)-3-(3-nitroanilino)but-2-enoate
The XLogP value of 2.4736 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-3-(3-nitroanilino)but-2-enoate. The TPSA of 81.47 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl (E)-3-(3-nitroanilino)but-2-enoate. Following Lipinski's Rule of Five, ethyl (E)-3-(3-nitroanilino)but-2-enoate 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 (E)-3-(3-nitroanilino)but-2-enoate?
The CAS number of ethyl (E)-3-(3-nitroanilino)but-2-enoate is 64334-94-7.
What is the molecular formula of ethyl (E)-3-(3-nitroanilino)but-2-enoate?
The molecular formula of ethyl (E)-3-(3-nitroanilino)but-2-enoate is C12H14N2O4.
What is the molecular weight of ethyl (E)-3-(3-nitroanilino)but-2-enoate?
The molecular weight of ethyl (E)-3-(3-nitroanilino)but-2-enoate is 250.10 g/mol.
Where can I buy ethyl (E)-3-(3-nitroanilino)but-2-enoate?
You can request a quote for ethyl (E)-3-(3-nitroanilino)but-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-3-(3-nitroanilino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3-(3-nitroanilino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.