Ethyl 3-(3-nitroanilino)but-2-enoate
TL;DR: Ethyl 3-(3-nitroanilino)but-2-enoate (CAS 920312-77-2) 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 3-(3-nitroanilino)but-2-enoate
Also Known As: ethyl 3-(3-nitroanilino)but-2-enoate, ethyl (E)-3-(3-nitroanilino)but-2-enoate, 2-Butenoic acid,3-[(3-nitrophenyl)amino]-, ethyl ester, 2-Butenoic acid, 3-[(3-nitrophenyl)amino]-, ethyl ester, 2-Butenoic acid, 3-[(3-nitrophenyl)amino]-, ethyl ester, (2Z)-
| Molecular Formula | C12H14N2O4 |
|---|---|
| Molecular Weight | 250.10 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.09535 |
| Heavy Atoms | 18 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 920312-77-2 |
|---|---|
| SMILES | CCOC(=O)C=C(C)NC1=CC(=CC=C1)[N+](=O)[O-] |
| InChIKey | HCFRMTZJXRQDKM-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(3-nitroanilino)but-2-enoate (CAS 920312-77-2), with molecular formula C12H14N2O4 and molecular weight 250.10 g/mol. IUPAC: ethyl 3-(3-nitroanilino)but-2-enoate.
Chemical Property Profile of Ethyl 3-(3-nitroanilino)but-2-enoate
Property Insights of Ethyl 3-(3-nitroanilino)but-2-enoate
The XLogP value of 3.0 indicates that Ethyl 3-(3-nitroanilino)but-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(3-nitroanilino)but-2-enoate. Following Lipinski's Rule of Five, Ethyl 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 3-(3-nitroanilino)but-2-enoate?
The CAS number of Ethyl 3-(3-nitroanilino)but-2-enoate is 920312-77-2.
What is the molecular formula of Ethyl 3-(3-nitroanilino)but-2-enoate?
The molecular formula of Ethyl 3-(3-nitroanilino)but-2-enoate is C12H14N2O4.
What is the molecular weight of Ethyl 3-(3-nitroanilino)but-2-enoate?
The molecular weight of Ethyl 3-(3-nitroanilino)but-2-enoate is 250.10 g/mol.
Where can I buy Ethyl 3-(3-nitroanilino)but-2-enoate?
You can request a quote for Ethyl 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 3-(3-nitroanilino)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(3-nitroanilino)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.