![2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol structure](/static/products/3314/331445-27-3.webp)
2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol
TL;DR: 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol (CAS 331445-27-3) is a chemical compound with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenol
Also Known As: BAS 00413146, 2-([2-(4-dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol, 2-{[2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl}-4-nitro-phenol, 2-(((2-(4-(Dimethylamino)phenyl)benzo[d]oxazol-5-yl)imino)methyl)-4-nitrophenol, 2-((1E)-2-{2-[4-(dimethylamino)phenyl]benzoxazol-5-yl}-2-azavinyl)-4-nitrophen ol
| Molecular Formula | C22H18N4O4 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 4.9252 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 402.1328 |
| Heavy Atoms | 30 |
| Complexity | 1260.1191 |
Chemical Identifiers
| CAS Number | 331445-27-3 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=C(C=CC(=C4)[N+](=O)[O-])O |
Product Overview
2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol (CAS 331445-27-3), with molecular formula C22H18N4O4 and molecular weight 402.13 g/mol. IUPAC: 2-[[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]iminomethyl]-4-nitrophenol.
Chemical Property Profile of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol
Property Insights of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol
The XLogP value of 4.9252 indicates that 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol. Following Lipinski's Rule of Five, 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol has 1 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 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol?
The CAS number of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol is 331445-27-3.
What is the molecular formula of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol?
The molecular formula of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol is C22H18N4O4.
What is the molecular weight of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol?
The molecular weight of 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol is 402.13 g/mol.
Where can I buy 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol?
You can request a quote for 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-([2-(4-Dimethylamino-phenyl)-benzooxazol-5-yl-imino]-methyl)-4-nitro-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.