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N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
TL;DR: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide (CAS 314029-93-1) is a chemical compound with molecular formula C20H12ClN3O4 and molecular weight 393.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Also Known As: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
| Molecular Formula | C20H12ClN3O4 |
|---|---|
| Molecular Weight | 393.05 g/mol |
| LogP | 5.3087 |
| Topological Polar Surface Area | 98.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.05164 |
| Heavy Atoms | 28 |
| Complexity | 1184.5378 |
Chemical Identifiers
| CAS Number | 314029-93-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)Cl)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide (CAS 314029-93-1), with molecular formula C20H12ClN3O4 and molecular weight 393.05 g/mol. IUPAC: N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide.
Chemical Property Profile of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
Property Insights of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide
The XLogP value of 5.3087 indicates that N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-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-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide. Following Lipinski's Rule of Five, N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-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-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide?
The CAS number of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide is 314029-93-1.
What is the molecular formula of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide?
The molecular formula of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide is C20H12ClN3O4.
What is the molecular weight of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide?
The molecular weight of N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide is 393.05 g/mol.
Where can I buy N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide?
You can request a quote for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-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-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.