1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone
TL;DR: 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone (CAS 400085-26-9) is a chemical compound with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-4-methyl-4-nitropentan-1-one
Also Known As: 1-(3,4-dichlorophenyl)-4-methyl-4-nitro-1-pentanone, 1-(3,4-dichlorophenyl)-4-methyl-4-nitropentan-1-one, 6G-386S, 1-(3,4-dichlorophenyl)-4-methyl-4-nitro-pentan-1-one
| Molecular Formula | C12H13Cl2NO3 |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 4.0116 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.02725 |
| Heavy Atoms | 18 |
| Complexity | 486.2109 |
Chemical Identifiers
| CAS Number | 400085-26-9 |
|---|---|
| SMILES | CC(C)(CCC(=O)C1=CC(=C(C=C1)Cl)Cl)[N+](=O)[O-] |
Product Overview
1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone (CAS 400085-26-9), with molecular formula C12H13Cl2NO3 and molecular weight 289.03 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-4-methyl-4-nitropentan-1-one.
Chemical Property Profile of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone
Property Insights of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone
The XLogP value of 4.0116 indicates that 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone. Following Lipinski's Rule of Five, 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone has 0 hydrogen bond donor(s) and 3 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 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone?
The CAS number of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone is 400085-26-9.
What is the molecular formula of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone?
The molecular formula of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone is C12H13Cl2NO3.
What is the molecular weight of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone?
The molecular weight of 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone is 289.03 g/mol.
Where can I buy 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone?
You can request a quote for 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-Dichlorophenyl)-4-methyl-4-nitro-1-pentanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.