alpha-(4-Chloro-3-nitroanilino)-P-cresol
TL;DR: alpha-(4-Chloro-3-nitroanilino)-P-cresol (CAS 196935-04-3) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chloro-3-nitroanilino)methyl]phenol
Also Known As: 4-[(4-chloro-3-nitroanilino)methyl]phenol, ALPHA-(4-CHLORO-3-NITROANILINO)-P-CRESOL, 4-[[(4-Chloro-3-nitrophenyl)amino]methyl]phenol, 4-[[(4-chloro-3-nitro-phenyl)amino]methyl]phenol
| Molecular Formula | C13H11ClN2O3 |
|---|---|
| Molecular Weight | 278.05 g/mol |
| LogP | 3.5659 |
| Topological Polar Surface Area | 75.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0458 |
| Heavy Atoms | 19 |
| Complexity | 599.33734 |
Chemical Identifiers
| CAS Number | 196935-04-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=CC(=C(C=C2)Cl)[N+](=O)[O-])O |
Product Overview
alpha-(4-Chloro-3-nitroanilino)-P-cresol (CAS 196935-04-3), with molecular formula C13H11ClN2O3 and molecular weight 278.05 g/mol. IUPAC: 4-[(4-chloro-3-nitroanilino)methyl]phenol.
Chemical Property Profile of alpha-(4-Chloro-3-nitroanilino)-P-cresol
Property Insights of alpha-(4-Chloro-3-nitroanilino)-P-cresol
The XLogP value of 3.5659 indicates that alpha-(4-Chloro-3-nitroanilino)-P-cresol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.4 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-(4-Chloro-3-nitroanilino)-P-cresol. Following Lipinski's Rule of Five, alpha-(4-Chloro-3-nitroanilino)-P-cresol has 2 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 alpha-(4-Chloro-3-nitroanilino)-P-cresol?
The CAS number of alpha-(4-Chloro-3-nitroanilino)-P-cresol is 196935-04-3.
What is the molecular formula of alpha-(4-Chloro-3-nitroanilino)-P-cresol?
The molecular formula of alpha-(4-Chloro-3-nitroanilino)-P-cresol is C13H11ClN2O3.
What is the molecular weight of alpha-(4-Chloro-3-nitroanilino)-P-cresol?
The molecular weight of alpha-(4-Chloro-3-nitroanilino)-P-cresol is 278.05 g/mol.
Where can I buy alpha-(4-Chloro-3-nitroanilino)-P-cresol?
You can request a quote for alpha-(4-Chloro-3-nitroanilino)-P-cresol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-(4-Chloro-3-nitroanilino)-P-cresol?
Yes, KEHONG BIO provides custom synthesis services for alpha-(4-Chloro-3-nitroanilino)-P-cresol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.