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N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
TL;DR: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide (CAS 431909-53-4) is a chemical compound with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
Also Known As: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide, AB00118359-01, AB00118359-02
| Molecular Formula | C22H17N3O4 |
|---|---|
| Molecular Weight | 387.12 g/mol |
| LogP | 5.27214 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12192 |
| Heavy Atoms | 29 |
| Complexity | 1227.1449 |
Chemical Identifiers
| CAS Number | 431909-53-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1NC(=O)C2=C(C(=CC=C2)[N+](=O)[O-])C)C3=NC4=CC=CC=C4O3 |
Product Overview
N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide (CAS 431909-53-4), with molecular formula C22H17N3O4 and molecular weight 387.12 g/mol. IUPAC: N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
Property Insights of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide
The XLogP value of 5.27214 indicates that N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide is 431909-53-4.
What is the molecular formula of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide is C22H17N3O4.
What is the molecular weight of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide is 387.12 g/mol.
Where can I buy N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(1,3-benzoxazol-2-yl)-2-methylphenyl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.