![N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide structure](/static/products/4339/433964-92-2.webp)
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
TL;DR: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide (CAS 433964-92-2) is a chemical compound with molecular formula C21H13ClFN3O4 and molecular weight 425.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
Also Known As: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide, N-(2-(2-chloro-4-fluorophenyl)benzo[d]oxazol-5-yl)-2-methyl-3-nitrobenzamide
| Molecular Formula | C21H13ClFN3O4 |
|---|---|
| Molecular Weight | 425.06 g/mol |
| LogP | 5.75622 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.05786 |
| Heavy Atoms | 30 |
| Complexity | 1319.103 |
Chemical Identifiers
| CAS Number | 433964-92-2 |
|---|---|
| SMILES | CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)F)Cl |
Product Overview
N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide (CAS 433964-92-2), with molecular formula C21H13ClFN3O4 and molecular weight 425.06 g/mol. IUPAC: N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide.
Chemical Property Profile of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
Property Insights of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide
The XLogP value of 5.75622 indicates that N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-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-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-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-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide?
The CAS number of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide is 433964-92-2.
What is the molecular formula of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide?
The molecular formula of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide is C21H13ClFN3O4.
What is the molecular weight of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide?
The molecular weight of N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide is 425.06 g/mol.
Where can I buy N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide?
You can request a quote for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-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-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2-chloro-4-fluorophenyl)-1,3-benzoxazol-5-yl]-2-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.