![2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol structure](/static/products/780/78095-98-4.png)
2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol
TL;DR: 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol (CAS 78095-98-4) is a chemical compound with molecular formula C14H11ClN2O3 and molecular weight 290.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-chloro-2-methylphenyl)iminomethyl]-4-nitrophenol
Also Known As: 2-{[(3-chloro-2-methylphenyl)imino]methyl}-4-nitrophenol, AN-329/11378334, 2-[(3-chloro-2-methylphenyl)iminomethyl]-4-nitrophenol, 2-{(E)-[(3-chloro-2-methylphenyl)imino]methyl}-4-nitrophenol, (6E)-6-[(3-chloro-2-methylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one
| Molecular Formula | C14H11ClN2O3 |
|---|---|
| Molecular Weight | 290.05 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 78.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 290.0458 |
| Heavy Atoms | 20 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 78095-98-4 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)N=CC2=C(C=CC(=C2)[N+](=O)[O-])O |
| InChIKey | YPXQQBAIYPQZNZ-UHFFFAOYSA-N |
Product Overview
2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol (CAS 78095-98-4), with molecular formula C14H11ClN2O3 and molecular weight 290.05 g/mol. IUPAC: 2-[(3-chloro-2-methylphenyl)iminomethyl]-4-nitrophenol.
Chemical Property Profile of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol
Property Insights of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol
The XLogP value of 3.7 indicates that 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol. Following Lipinski's Rule of Five, 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol has 1 hydrogen bond donor(s) and 4 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-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol?
The CAS number of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol is 78095-98-4.
What is the molecular formula of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol?
The molecular formula of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol is C14H11ClN2O3.
What is the molecular weight of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol?
The molecular weight of 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol is 290.05 g/mol.
Where can I buy 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol?
You can request a quote for 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 2-{[(3-Chloro-2-methylphenyl)imino]methyl}-4-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.