N-butyl-3-methyl-4-nitro-N-phenylbenzamide
TL;DR: N-butyl-3-methyl-4-nitro-N-phenylbenzamide (CAS 878992-65-5) is a chemical compound with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-3-methyl-4-nitro-N-phenylbenzamide
Also Known As: N-butyl-3-methyl-4-nitro-N-phenylbenzamide, N-butyl(3-methyl-4-nitrophenyl)-N-benzamide
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 4.35012 |
| Topological Polar Surface Area | 63.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 698.6678 |
Chemical Identifiers
| CAS Number | 878992-65-5 |
|---|---|
| SMILES | CCCCN(C1=CC=CC=C1)C(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C |
Product Overview
N-butyl-3-methyl-4-nitro-N-phenylbenzamide (CAS 878992-65-5), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: N-butyl-3-methyl-4-nitro-N-phenylbenzamide.
Chemical Property Profile of N-butyl-3-methyl-4-nitro-N-phenylbenzamide
Property Insights of N-butyl-3-methyl-4-nitro-N-phenylbenzamide
The XLogP value of 4.35012 indicates that N-butyl-3-methyl-4-nitro-N-phenylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.45 Ų falls within the moderate polarity range, balancing permeability and solubility for N-butyl-3-methyl-4-nitro-N-phenylbenzamide. Following Lipinski's Rule of Five, N-butyl-3-methyl-4-nitro-N-phenylbenzamide 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 N-butyl-3-methyl-4-nitro-N-phenylbenzamide?
The CAS number of N-butyl-3-methyl-4-nitro-N-phenylbenzamide is 878992-65-5.
What is the molecular formula of N-butyl-3-methyl-4-nitro-N-phenylbenzamide?
The molecular formula of N-butyl-3-methyl-4-nitro-N-phenylbenzamide is C18H20N2O3.
What is the molecular weight of N-butyl-3-methyl-4-nitro-N-phenylbenzamide?
The molecular weight of N-butyl-3-methyl-4-nitro-N-phenylbenzamide is 312.15 g/mol.
Where can I buy N-butyl-3-methyl-4-nitro-N-phenylbenzamide?
You can request a quote for N-butyl-3-methyl-4-nitro-N-phenylbenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-butyl-3-methyl-4-nitro-N-phenylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-butyl-3-methyl-4-nitro-N-phenylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.