Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate
TL;DR: Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate (CAS 38773-27-2) is a chemical compound with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-nitroanilino)cyclohexene-1-carboxylate
Also Known As: ethyl 2-(4-nitroanilino)cyclohexene-1-carboxylate, Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate, ETHYL 2-[(4-NITROPHENYL)AMINO]CYCLOHEXENE-1-CARBOXYLATE
| Molecular Formula | C15H18N2O4 |
|---|---|
| Molecular Weight | 290.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 84.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.12665 |
| Heavy Atoms | 21 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 38773-27-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(CCCC1)NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GTYQYAUWGDVHAN-UHFFFAOYSA-N |
Product Overview
Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate (CAS 38773-27-2), with molecular formula C15H18N2O4 and molecular weight 290.13 g/mol. IUPAC: ethyl 2-(4-nitroanilino)cyclohexene-1-carboxylate.
Chemical Property Profile of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate
Property Insights of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate
The XLogP value of 3.9 indicates that Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate 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 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate. Following Lipinski's Rule of Five, Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate 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 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate?
The CAS number of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate is 38773-27-2.
What is the molecular formula of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate?
The molecular formula of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate is C15H18N2O4.
What is the molecular weight of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate?
The molecular weight of Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate is 290.13 g/mol.
Where can I buy Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate?
You can request a quote for Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-(4-nitroanilino)cyclohex-1-ene-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.