N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide
TL;DR: N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide (CAS 430450-84-3) is a chemical compound with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide
Also Known As: N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide, AB00113044-01
| Molecular Formula | C17H18N2O3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 3.86462 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.13174 |
| Heavy Atoms | 22 |
| Complexity | 668.8592 |
Chemical Identifiers
| CAS Number | 430450-84-3 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CCCC2=CC=CC=C2 |
Product Overview
N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide (CAS 430450-84-3), with molecular formula C17H18N2O3 and molecular weight 298.13 g/mol. IUPAC: N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide.
Chemical Property Profile of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide
Property Insights of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide
The XLogP value of 3.86462 indicates that N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide 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 N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide. Following Lipinski's Rule of Five, N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide has 1 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 N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide?
The CAS number of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide is 430450-84-3.
What is the molecular formula of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide?
The molecular formula of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide is C17H18N2O3.
What is the molecular weight of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide?
The molecular weight of N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide is 298.13 g/mol.
Where can I buy N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide?
You can request a quote for N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2-methyl-5-nitrophenyl)-4-phenylbutanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.