4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate
TL;DR: 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate (CAS 6266-80-4) is a chemical compound with molecular formula C20H26O3S and molecular weight 346.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate
Also Known As: 4-(2,4,4-trimethylpentan-2-yl)phenyl benzenesulfonate, 2,4-dibromo-6-chloro-3-methyl-phenol, [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate
| Molecular Formula | C20H26O3S |
|---|---|
| Molecular Weight | 346.16 g/mol |
| LogP | 6.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.16028 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 6266-80-4 |
|---|---|
| SMILES | CC(C)(C)CC(C)(C)C1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2 |
| InChIKey | SPUADMDIHZGJQX-UHFFFAOYSA-N |
Product Overview
4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate (CAS 6266-80-4), with molecular formula C20H26O3S and molecular weight 346.16 g/mol. IUPAC: [4-(2,4,4-trimethylpentan-2-yl)phenyl] benzenesulfonate.
Chemical Property Profile of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate
Property Insights of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate
The XLogP value of 6.5 indicates that 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate has 0 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 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate?
The CAS number of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate is 6266-80-4.
What is the molecular formula of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate?
The molecular formula of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate is C20H26O3S.
What is the molecular weight of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate?
The molecular weight of 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate is 346.16 g/mol.
Where can I buy 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate?
You can request a quote for 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,4,4-Trimethylpentan-2-yl)phenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.