2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol
TL;DR: 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol (CAS 315671-76-2) is a chemical compound with molecular formula C17H18ClN3O3 and molecular weight 347.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chloro-3-nitrophenyl)iminomethyl]-5-(diethylamino)phenol
Also Known As: AN-329/11482184, 2-{(E)-[(4-chloro-3-nitrophenyl)imino]methyl}-5-(diethylamino)phenol, 2-{[(4-chloro-3-nitrophenyl)imino]methyl}-5-(diethylamino)phenol, 2-[(E)-[(4-CHLORO-3-NITROPHENYL)IMINO]METHYL]-5-(DIETHYLAMINO)PHENOL, (6E)-6-[(4-chloro-3-nitroanilino)methylidene]-3-(diethylamino)cyclohexa-2,4-dien-1-one
| Molecular Formula | C17H18ClN3O3 |
|---|---|
| Molecular Weight | 347.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 347.10367 |
| Heavy Atoms | 24 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 315671-76-2 |
|---|---|
| SMILES | CCN(CC)C1=CC(=C(C=C1)C=NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])O |
| InChIKey | BOJNTKDIXKWTAY-UHFFFAOYSA-N |
Product Overview
2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol (CAS 315671-76-2), with molecular formula C17H18ClN3O3 and molecular weight 347.10 g/mol. IUPAC: 2-[(4-chloro-3-nitrophenyl)iminomethyl]-5-(diethylamino)phenol.
Chemical Property Profile of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol
Property Insights of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol
The XLogP value of 4.2 indicates that 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol. Following Lipinski's Rule of Five, 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol has 1 hydrogen bond donor(s) and 5 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-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol?
The CAS number of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol is 315671-76-2.
What is the molecular formula of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol?
The molecular formula of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol is C17H18ClN3O3.
What is the molecular weight of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol?
The molecular weight of 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol is 347.10 g/mol.
Where can I buy 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol?
You can request a quote for 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-[(E)-[(4-Chloro-3-nitrophenyl)imino]methyl]-5-(diethylamino)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.