![N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide structure](/static/products/3139/313962-33-3.webp)
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
TL;DR: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide (CAS 313962-33-3) is a chemical compound with molecular formula C20H12BrN3O4 and molecular weight 437.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Also Known As: ChemDiv1_000881, N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
| Molecular Formula | C20H12BrN3O4 |
|---|---|
| Molecular Weight | 437.00 g/mol |
| LogP | 5.4178 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 437.00113 |
| Heavy Atoms | 28 |
| Complexity | 1201.7878 |
Chemical Identifiers
| CAS Number | 313962-33-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Br)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide (CAS 313962-33-3), with molecular formula C20H12BrN3O4 and molecular weight 437.00 g/mol. IUPAC: N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide.
Chemical Property Profile of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
Property Insights of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide
The XLogP value of 5.4178 indicates that N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-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-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-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-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?
The CAS number of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is 313962-33-3.
What is the molecular formula of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?
The molecular formula of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is C20H12BrN3O4.
What is the molecular weight of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?
The molecular weight of N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide is 437.00 g/mol.
Where can I buy N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?
You can request a quote for N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-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-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(3-bromophenyl)-1,3-benzoxazol-5-yl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.