2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide
TL;DR: 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide (CAS 431995-81-2) 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.
2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide
Also Known As: 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide, 2-methyl-N-(1-methyl-3-phenylpropyl)-3-nitrobenzamide, 3-nitro-2-methyl-N-(1-methyl-3-phenylpropyl)benzamide, (2-methyl-3-nitrophenyl)-N-(1-methyl-3-phenylpropyl)carboxamide, Cambridge id 6791758
| Molecular Formula | C18H20N2O3 |
|---|---|
| Molecular Weight | 312.15 g/mol |
| LogP | 3.65432 |
| Topological Polar Surface Area | 72.24 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1474 |
| Heavy Atoms | 23 |
| Complexity | 698.6678 |
Chemical Identifiers
| CAS Number | 431995-81-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(C)CCC2=CC=CC=C2 |
Product Overview
2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide (CAS 431995-81-2), with molecular formula C18H20N2O3 and molecular weight 312.15 g/mol. IUPAC: 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide.
Chemical Property Profile of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide
Property Insights of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide
The XLogP value of 3.65432 indicates that 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)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 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide. Following Lipinski's Rule of Five, 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)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 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
The CAS number of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide is 431995-81-2.
What is the molecular formula of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
The molecular formula of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide is C18H20N2O3.
What is the molecular weight of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
The molecular weight of 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide is 312.15 g/mol.
Where can I buy 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
You can request a quote for 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-nitro-N-(4-phenylbutan-2-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.