![3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide structure](/static/products/5750/5750-85-6.webp)
3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide
TL;DR: 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide (CAS 5750-85-6) is a chemical compound with molecular formula C22H15N3O5 and molecular weight 401.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
Also Known As: AB00095749-01, 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide, 3-methyl-4-nitro-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide
| Molecular Formula | C22H15N3O5 |
|---|---|
| Molecular Weight | 401.10 g/mol |
| LogP | 4.32392 |
| Topological Polar Surface Area | 115.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.10117 |
| Heavy Atoms | 30 |
| Complexity | 1343.2407 |
Chemical Identifiers
| CAS Number | 5750-85-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=O)O3)[N+](=O)[O-] |
Product Overview
3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide (CAS 5750-85-6), with molecular formula C22H15N3O5 and molecular weight 401.10 g/mol. IUPAC: 3-methyl-4-nitro-N-[4-(4-oxo-3,1-benzoxazin-2-yl)phenyl]benzamide.
Chemical Property Profile of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide
Property Insights of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide
The XLogP value of 4.32392 indicates that 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide. Following Lipinski's Rule of Five, 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide has 1 hydrogen bond donor(s) and 6 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-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide?
The CAS number of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide is 5750-85-6.
What is the molecular formula of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide?
The molecular formula of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide is C22H15N3O5.
What is the molecular weight of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide?
The molecular weight of 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide is 401.10 g/mol.
Where can I buy 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide?
You can request a quote for 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]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-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-nitro-N-[4-(4-oxo-4H-3,1-benzoxazin-2-yl)phenyl]benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.