4-tert-Butyl-2-chloro-6-nitrophenol
TL;DR: 4-tert-Butyl-2-chloro-6-nitrophenol (CAS 14593-28-3) is a chemical compound with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-2-chloro-6-nitrophenol
Also Known As: 4-tert-Butyl-2-chloro-6-nitrophenol, 6-chloro-2-nitro-4-t-butylphenol, 4-(tert-Butyl)-2-chloro-6-nitrophenol, 4-TERT-BUTYL-2-CHLORO-6-NITRO-PHENOL, Phenol, 2-chloro-4-(1,1-dimethylethyl)-6-nitro-
| Molecular Formula | C10H12ClNO3 |
|---|---|
| Molecular Weight | 229.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.05057 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 14593-28-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=C(C(=C1)Cl)O)[N+](=O)[O-] |
| InChIKey | ANIIEJHRMKMVOR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-tert-Butyl-2-chloro-6-nitrophenol (CAS 14593-28-3), with molecular formula C10H12ClNO3 and molecular weight 229.05 g/mol. IUPAC: 4-tert-butyl-2-chloro-6-nitrophenol.
Chemical Property Profile of 4-tert-Butyl-2-chloro-6-nitrophenol
Property Insights of 4-tert-Butyl-2-chloro-6-nitrophenol
The XLogP value of 4.2 indicates that 4-tert-Butyl-2-chloro-6-nitrophenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-tert-Butyl-2-chloro-6-nitrophenol. Following Lipinski's Rule of Five, 4-tert-Butyl-2-chloro-6-nitrophenol has 1 hydrogen bond donor(s) and 3 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 4-tert-Butyl-2-chloro-6-nitrophenol?
The CAS number of 4-tert-Butyl-2-chloro-6-nitrophenol is 14593-28-3.
What is the molecular formula of 4-tert-Butyl-2-chloro-6-nitrophenol?
The molecular formula of 4-tert-Butyl-2-chloro-6-nitrophenol is C10H12ClNO3.
What is the molecular weight of 4-tert-Butyl-2-chloro-6-nitrophenol?
The molecular weight of 4-tert-Butyl-2-chloro-6-nitrophenol is 229.05 g/mol.
Where can I buy 4-tert-Butyl-2-chloro-6-nitrophenol?
You can request a quote for 4-tert-Butyl-2-chloro-6-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butyl-2-chloro-6-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butyl-2-chloro-6-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.