2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
TL;DR: 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide (CAS 335397-80-3) is a chemical compound with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
Also Known As: 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide, BAS 02257336, AB00104620-01, N-{4-nitro-2-methylphenyl}-2-methylpentanamide, 2-Methyl-pentanoic acid (2-methyl-4-nitro-phenyl)-amide
| Molecular Formula | C13H18N2O3 |
|---|---|
| Molecular Weight | 250.13 g/mol |
| LogP | 3.27792 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 250.13174 |
| Heavy Atoms | 18 |
| Complexity | 457.54962 |
Chemical Identifiers
| CAS Number | 335397-80-3 |
|---|---|
| SMILES | CCCC(C)C(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C |
Product Overview
2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide (CAS 335397-80-3), with molecular formula C13H18N2O3 and molecular weight 250.13 g/mol. IUPAC: 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide.
Chemical Property Profile of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
Property Insights of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide
The XLogP value of 3.27792 indicates that 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide 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 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide. Following Lipinski's Rule of Five, 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide 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 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
The CAS number of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide is 335397-80-3.
What is the molecular formula of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
The molecular formula of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide is C13H18N2O3.
What is the molecular weight of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
The molecular weight of 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide is 250.13 g/mol.
Where can I buy 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
You can request a quote for 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-N-(2-methyl-4-nitrophenyl)pentanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.