2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol
TL;DR: 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol (CAS 17199-22-3) is a chemical compound with molecular formula C14H20BrNO3 and molecular weight 329.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-bromo-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol
Also Known As: 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol, <2-Methyl-propenyloxy>-tributyl-zinn, 2-bromo-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol, J1.565.054K, Phenol, 2-bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)-
| Molecular Formula | C14H20BrNO3 |
|---|---|
| Molecular Weight | 329.06 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 329.06265 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 17199-22-3 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC(=C(C(=C1)Br)O)[N+](=O)[O-] |
| InChIKey | RBDIWJZVNYIEMU-UHFFFAOYSA-N |
Product Overview
2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol (CAS 17199-22-3), with molecular formula C14H20BrNO3 and molecular weight 329.06 g/mol. IUPAC: 2-bromo-6-nitro-4-(2,4,4-trimethylpentan-2-yl)phenol.
Chemical Property Profile of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol
Property Insights of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol
The XLogP value of 6.0 indicates that 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol 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 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol. Following Lipinski's Rule of Five, 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol?
The CAS number of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol is 17199-22-3.
What is the molecular formula of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol?
The molecular formula of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol is C14H20BrNO3.
What is the molecular weight of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol?
The molecular weight of 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol is 329.06 g/mol.
Where can I buy 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol?
You can request a quote for 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromo-6-nitro-4-(1,1,3,3-tetramethylbutyl)phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.