4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
TL;DR: 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one (CAS 317335-57-2) is a chemical compound with molecular formula C11H11Cl3N2O3 and molecular weight 323.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
Also Known As: 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one, 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)-1-butanone, 4,4,4-Trichloro-3-methylamino-1-(4-nitro-phenyl)-butan-1-one, 4,4,4-tris(chloranyl)-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
| Molecular Formula | C11H11Cl3N2O3 |
|---|---|
| Molecular Weight | 323.98 g/mol |
| LogP | 3.1258 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.98352 |
| Heavy Atoms | 19 |
| Complexity | 471.0689 |
Chemical Identifiers
| CAS Number | 317335-57-2 |
|---|---|
| SMILES | CNC(CC(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(Cl)(Cl)Cl |
Product Overview
4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one (CAS 317335-57-2), with molecular formula C11H11Cl3N2O3 and molecular weight 323.98 g/mol. IUPAC: 4,4,4-trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one.
Chemical Property Profile of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
Property Insights of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one
The XLogP value of 3.1258 indicates that 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-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 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one. Following Lipinski's Rule of Five, 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-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 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one?
The CAS number of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one is 317335-57-2.
What is the molecular formula of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one?
The molecular formula of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one is C11H11Cl3N2O3.
What is the molecular weight of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one?
The molecular weight of 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one is 323.98 g/mol.
Where can I buy 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one?
You can request a quote for 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichloro-3-(methylamino)-1-(4-nitrophenyl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.