4-Butyl-2-nitrophenol
TL;DR: 4-Butyl-2-nitrophenol (CAS 52899-59-9) is a chemical compound with molecular formula C10H13NO3 and molecular weight 195.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-butyl-2-nitrophenol
Also Known As: 4-Butyl-2-nitrophenol, 4-n-butyl-2-nitrophenol, 2-nitro-4-butylphenol, 4-Butyl-2-nitro-phenol, Phenol, 4-butyl-2-nitro-
| Molecular Formula | C10H13NO3 |
|---|---|
| Molecular Weight | 195.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.08954 |
| Heavy Atoms | 14 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 52899-59-9 |
|---|---|
| SMILES | CCCCC1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | YNCKBAUMTMYXSC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Butyl-2-nitrophenol (CAS 52899-59-9), with molecular formula C10H13NO3 and molecular weight 195.09 g/mol. IUPAC: 4-butyl-2-nitrophenol.
Chemical Property Profile of 4-Butyl-2-nitrophenol
Property Insights of 4-Butyl-2-nitrophenol
The XLogP value of 3.9 indicates that 4-Butyl-2-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-Butyl-2-nitrophenol. Following Lipinski's Rule of Five, 4-Butyl-2-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-Butyl-2-nitrophenol?
The CAS number of 4-Butyl-2-nitrophenol is 52899-59-9.
What is the molecular formula of 4-Butyl-2-nitrophenol?
The molecular formula of 4-Butyl-2-nitrophenol is C10H13NO3.
What is the molecular weight of 4-Butyl-2-nitrophenol?
The molecular weight of 4-Butyl-2-nitrophenol is 195.09 g/mol.
Where can I buy 4-Butyl-2-nitrophenol?
You can request a quote for 4-Butyl-2-nitrophenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Butyl-2-nitrophenol?
Yes, KEHONG BIO provides custom synthesis services for 4-Butyl-2-nitrophenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.