5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one
TL;DR: 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one (CAS 332861-74-2) is a chemical compound with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one
Also Known As: BAS 01849654, 5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one, 5-(3,4-dimethoxyphenyl)-3-{4-nitroanilino}-2-cyclohexen-1-one, 5-(3,4-dimethoxyphenyl)-3-[(4-nitrophenyl)amino]cyclohex-2-en-1-one, 5-(3,4-Dimethoxy-phenyl)-3-(4-nitro-phenylamino)-cyclohex-2-enone
| Molecular Formula | C20H20N2O5 |
|---|---|
| Molecular Weight | 368.14 g/mol |
| LogP | 4.0545 |
| Topological Polar Surface Area | 90.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1372 |
| Heavy Atoms | 27 |
| Complexity | 889.7451 |
Chemical Identifiers
| CAS Number | 332861-74-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2CC(=CC(=O)C2)NC3=CC=C(C=C3)[N+](=O)[O-])OC |
Product Overview
5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one (CAS 332861-74-2), with molecular formula C20H20N2O5 and molecular weight 368.14 g/mol. IUPAC: 5-(3,4-dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one.
Chemical Property Profile of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one
Property Insights of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one
The XLogP value of 4.0545 indicates that 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one. Following Lipinski's Rule of Five, 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one has 1 hydrogen bond donor(s) and 6 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 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one?
The CAS number of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one is 332861-74-2.
What is the molecular formula of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one?
The molecular formula of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one is C20H20N2O5.
What is the molecular weight of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one?
The molecular weight of 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one is 368.14 g/mol.
Where can I buy 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one?
You can request a quote for 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one?
Yes, KEHONG BIO provides custom synthesis services for 5-(3,4-Dimethoxyphenyl)-3-(4-nitroanilino)cyclohex-2-en-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.