Phenol, 4-(1-methylbutyl)-2-nitro
TL;DR: Phenol, 4-(1-methylbutyl)-2-nitro (CAS 30397-00-3) is a chemical compound with molecular formula C11H15NO3 and molecular weight 209.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-nitro-4-pentan-2-ylphenol
Also Known As: Phenol, 4-(1-methylbutyl)-2-nitro, 2-nitro-4-pentan-2-ylphenol, Phenol,2-nitro-4-sec-pentyl, Phenol, 2-nitro-4-sec-pentyl-, 2-NITRO-4-(PENTAN-2-YL)PHENOL
| Molecular Formula | C11H15NO3 |
|---|---|
| Molecular Weight | 209.11 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.1052 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 30397-00-3 |
|---|---|
| SMILES | CCCC(C)C1=CC(=C(C=C1)O)[N+](=O)[O-] |
| InChIKey | BUIJJQHOWLTFQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenol, 4-(1-methylbutyl)-2-nitro (CAS 30397-00-3), with molecular formula C11H15NO3 and molecular weight 209.11 g/mol. IUPAC: 2-nitro-4-pentan-2-ylphenol.
Chemical Property Profile of Phenol, 4-(1-methylbutyl)-2-nitro
Property Insights of Phenol, 4-(1-methylbutyl)-2-nitro
The XLogP value of 4.4 indicates that Phenol, 4-(1-methylbutyl)-2-nitro 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 Phenol, 4-(1-methylbutyl)-2-nitro. Following Lipinski's Rule of Five, Phenol, 4-(1-methylbutyl)-2-nitro 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 Phenol, 4-(1-methylbutyl)-2-nitro?
The CAS number of Phenol, 4-(1-methylbutyl)-2-nitro is 30397-00-3.
What is the molecular formula of Phenol, 4-(1-methylbutyl)-2-nitro?
The molecular formula of Phenol, 4-(1-methylbutyl)-2-nitro is C11H15NO3.
What is the molecular weight of Phenol, 4-(1-methylbutyl)-2-nitro?
The molecular weight of Phenol, 4-(1-methylbutyl)-2-nitro is 209.11 g/mol.
Where can I buy Phenol, 4-(1-methylbutyl)-2-nitro?
You can request a quote for Phenol, 4-(1-methylbutyl)-2-nitro directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenol, 4-(1-methylbutyl)-2-nitro?
Yes, KEHONG BIO provides custom synthesis services for Phenol, 4-(1-methylbutyl)-2-nitro and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.