4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one
TL;DR: 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one (CAS 371954-95-9) is a chemical compound with molecular formula C12H9Cl3N4O3 and molecular weight 361.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,4-trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one
Also Known As: 4,4,4-trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one, 4,4,4-trichloro-1-(4-nitrophenyl)-3-(1H-1,2,4-triazol-1-yl)butan-1-one, Cambridge id 5113604
| Molecular Formula | C12H9Cl3N4O3 |
|---|---|
| Molecular Weight | 361.97 g/mol |
| LogP | 3.3706 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 361.97403 |
| Heavy Atoms | 22 |
| Complexity | 667.925 |
Chemical Identifiers
| CAS Number | 371954-95-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CC(C(Cl)(Cl)Cl)N2C=NC=N2)[N+](=O)[O-] |
Product Overview
4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one (CAS 371954-95-9), with molecular formula C12H9Cl3N4O3 and molecular weight 361.97 g/mol. IUPAC: 4,4,4-trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one.
Chemical Property Profile of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one
Property Insights of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one
The XLogP value of 3.3706 indicates that 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one. Following Lipinski's Rule of Five, 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one has 0 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 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one?
The CAS number of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one is 371954-95-9.
What is the molecular formula of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one?
The molecular formula of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one is C12H9Cl3N4O3.
What is the molecular weight of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one?
The molecular weight of 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one is 361.97 g/mol.
Where can I buy 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one?
You can request a quote for 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)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-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 4,4,4-Trichloro-1-(4-nitrophenyl)-3-(1,2,4-triazol-1-yl)butan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.