3-methyl-4-nitro-N-(4-phenylbutyl)benzamide
TL;DR: 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide (CAS 545355-44-0) 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.
3-methyl-4-nitro-N-(4-phenylbutyl)benzamide
Also Known As: 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide, 4-nitro-3-methyl-N-(4-phenylbutyl)benzamide, (3-methyl-4-nitrophenyl)-N-(4-phenylbutyl)carboxamide
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.65592 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 683.92096 |
Chemical Identifiers
| CAS Number | 545355-44-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NCCCCC2=CC=CC=C2)[N+](=O)[O-] |
Product Overview
3-methyl-4-nitro-N-(4-phenylbutyl)benzamide (CAS 545355-44-0), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide.
Chemical Property Profile of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide
Property Insights of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide
The XLogP value of 3.65592 indicates that 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide 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 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide. Following Lipinski's Rule of Five, 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide 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 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide?
The CAS number of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide is 545355-44-0.
What is the molecular formula of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide?
The molecular formula of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide is C18H20N2O3.
What is the molecular weight of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide?
The molecular weight of 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide is 312.15 g/mol.
Where can I buy 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide?
You can request a quote for 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-nitro-N-(4-phenylbutyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.