![N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide structure](/static/products/535/535940-89-7.png)
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
TL;DR: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide (CAS 535940-89-7) is a chemical compound with molecular formula C20H12BrN3O5 and molecular weight 453.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
Also Known As: N-[2-(3-bromo-4-oxo-1-cyclohexa-2,5-dienylidene)-3H-benzooxazol-5-yl]-2-nitro-benzamide, N-[(2E)-2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-nitrobenzamide, N-[2-(3-bromo-4-oxocyclohexa-2,5-dien-1-ylidene)-3H-1,3-benzoxazol-5-yl]-2-nitrobenzamide
| Molecular Formula | C20H12BrN3O5 |
|---|---|
| Molecular Weight | 453.00 g/mol |
| LogP | 5.1234 |
| Topological Polar Surface Area | 118.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 452.99603 |
| Heavy Atoms | 29 |
| Complexity | 1268.2041 |
Chemical Identifiers
| CAS Number | 535940-89-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC3=C(C=C2)OC(=N3)C4=CC(=C(C=C4)O)Br)[N+](=O)[O-] |
Product Overview
N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide (CAS 535940-89-7), with molecular formula C20H12BrN3O5 and molecular weight 453.00 g/mol. IUPAC: N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide.
Chemical Property Profile of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
Property Insights of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide
The XLogP value of 5.1234 indicates that N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 118.5 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide has 2 hydrogen bond donor(s) and 6 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-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide?
The CAS number of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide is 535940-89-7.
What is the molecular formula of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide?
The molecular formula of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide is C20H12BrN3O5.
What is the molecular weight of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide?
The molecular weight of N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide is 453.00 g/mol.
Where can I buy N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide?
You can request a quote for N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-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-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-bromo-4-hydroxyphenyl)-1,3-benzoxazol-5-yl]-2-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.