![N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide structure](/static/products/3136/313667-76-4.webp)
N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide
TL;DR: N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide (CAS 313667-76-4) is a chemical compound with molecular formula C21H13Cl2N3O4 and molecular weight 441.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide
Also Known As: N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide, BAS 00414004, N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide, N-(2-(2,4-Dichlorophenyl)benzo[d]oxazol-5-yl)-3-methyl-4-nitrobenzamide, N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-4-nitro-3-methylbenzamide
| Molecular Formula | C21H13Cl2N3O4 |
|---|---|
| Molecular Weight | 441.03 g/mol |
| LogP | 6.27052 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 441.02832 |
| Heavy Atoms | 30 |
| Complexity | 1317.103 |
Chemical Identifiers
| CAS Number | 313667-76-4 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=C(C=C(C=C4)Cl)Cl)[N+](=O)[O-] |
Product Overview
N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide (CAS 313667-76-4), with molecular formula C21H13Cl2N3O4 and molecular weight 441.03 g/mol. IUPAC: N-[2-(2,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-3-methyl-4-nitrobenzamide.
Chemical Property Profile of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide
Property Insights of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide
The XLogP value of 6.27052 indicates that N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide 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-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide. Following Lipinski's Rule of Five, N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide 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-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide?
The CAS number of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide is 313667-76-4.
What is the molecular formula of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide?
The molecular formula of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide is C21H13Cl2N3O4.
What is the molecular weight of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide?
The molecular weight of N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide is 441.03 g/mol.
Where can I buy N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide?
You can request a quote for N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(2,4-Dichloro-phenyl)-benzooxazol-5-yl]-3-methyl-4-nitro-benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.