N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
TL;DR: N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide (CAS 208118-39-2) is a chemical compound with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
Also Known As: N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide, AB00086850-01, A0770/0036006, N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentan-amide, N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide #
| Molecular Formula | C13H15ClN2O4 |
|---|---|
| Molecular Weight | 298.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 298.07202 |
| Heavy Atoms | 20 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 208118-39-2 |
|---|---|
| SMILES | CC(C)(C)C(=O)CC(=O)NC1=CC(=C(C=C1)Cl)[N+](=O)[O-] |
| InChIKey | NSTBUQQNZAXHAZ-UHFFFAOYSA-N |
Product Overview
N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide (CAS 208118-39-2), with molecular formula C13H15ClN2O4 and molecular weight 298.07 g/mol. IUPAC: N-(4-chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide.
Chemical Property Profile of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
Property Insights of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide
The XLogP value of 3.4 indicates that N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide. Following Lipinski's Rule of Five, N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide 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 N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
The CAS number of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is 208118-39-2.
What is the molecular formula of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
The molecular formula of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is C13H15ClN2O4.
What is the molecular weight of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
The molecular weight of N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide is 298.07 g/mol.
Where can I buy N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
You can request a quote for N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-3-nitrophenyl)-4,4-dimethyl-3-oxopentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.