(E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one
TL;DR: (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one (CAS 692264-03-2) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one
Also Known As: (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one, (1E)-4,4-dimethyl-1-[(3-nitrophenyl)amino]pent-1-en-3-one
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 3.1356 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 487.25488 |
Chemical Identifiers
| CAS Number | 692264-03-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)/C=C/NC1=CC(=CC=C1)[N+](=O)[O-] |
Product Overview
(E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one (CAS 692264-03-2), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one.
Chemical Property Profile of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one
Property Insights of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one
The XLogP value of 3.1356 indicates that (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.24 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one. Following Lipinski's Rule of Five, (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one has 1 hydrogen bond donor(s) and 4 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 (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one?
The CAS number of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one is 692264-03-2.
What is the molecular formula of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one?
The molecular formula of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one is C13H16N2O3.
What is the molecular weight of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one?
The molecular weight of (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one is 248.12 g/mol.
Where can I buy (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one?
You can request a quote for (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.