![N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide structure](/static/products/6006/6006-54-8.webp)
N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide
TL;DR: N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide (CAS 6006-54-8) is a chemical compound with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide
Also Known As: BIM-0049773.P001, N-[4-(1,3-BENZOXAZOL-2-YL)-3-HYDROXYPHENYL]-4-ETHOXY-3-NITROBENZAMIDE, N-[(4E)-4-(1,3-Benzoxazol-2(3H)-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-ethoxy-3-nitrobenzamide, N-[(4E)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-ethoxy-3-nitrobenzamide, N-[(4Z)-4-(3H-1,3-benzoxazol-2-ylidene)-3-oxocyclohexa-1,5-dien-1-yl]-4-ethoxy-3-nitrobenzamide
| Molecular Formula | C22H17N3O6 |
|---|---|
| Molecular Weight | 419.11 g/mol |
| LogP | 4.7596 |
| Topological Polar Surface Area | 127.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.11172 |
| Heavy Atoms | 31 |
| Complexity | 1264.6509 |
Chemical Identifiers
| CAS Number | 6006-54-8 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)C3=NC4=CC=CC=C4O3)O)[N+](=O)[O-] |
Product Overview
N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide (CAS 6006-54-8), with molecular formula C22H17N3O6 and molecular weight 419.11 g/mol. IUPAC: N-[4-(1,3-benzoxazol-2-yl)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide.
Chemical Property Profile of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide
Property Insights of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide
The XLogP value of 4.7596 indicates that N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.73 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide. Following Lipinski's Rule of Five, N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide?
The CAS number of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide is 6006-54-8.
What is the molecular formula of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide?
The molecular formula of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide is C22H17N3O6.
What is the molecular weight of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide?
The molecular weight of N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide is 419.11 g/mol.
Where can I buy N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide?
You can request a quote for N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-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-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(1,3-Benzoxazol-2-YL)-3-hydroxyphenyl]-4-ethoxy-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.