3-Tert-butyl-4-hydroxyphenyl benzenesulfonate
TL;DR: 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate (CAS 723758-24-5) is a chemical compound with molecular formula C16H18O4S and molecular weight 306.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-tert-butyl-4-hydroxyphenyl) benzenesulfonate
Also Known As: 3-tert-butyl-4-hydroxyphenyl benzenesulfonate, (3-tert-butyl-4-hydroxyphenyl) benzenesulfonate, AN-652/42190701
| Molecular Formula | C16H18O4S |
|---|---|
| Molecular Weight | 306.09 g/mol |
| LogP | 3.4574 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 306.0926 |
| Heavy Atoms | 21 |
| Complexity | 728.61743 |
Chemical Identifiers
| CAS Number | 723758-24-5 |
|---|---|
| SMILES | CC(C)(C)C1=C(C=CC(=C1)OS(=O)(=O)C2=CC=CC=C2)O |
Product Overview
3-Tert-butyl-4-hydroxyphenyl benzenesulfonate (CAS 723758-24-5), with molecular formula C16H18O4S and molecular weight 306.09 g/mol. IUPAC: (3-tert-butyl-4-hydroxyphenyl) benzenesulfonate.
Chemical Property Profile of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate
Property Insights of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate
The XLogP value of 3.4574 indicates that 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate. Following Lipinski's Rule of Five, 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate has 1 hydrogen bond donor(s) and 4 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 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate?
The CAS number of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate is 723758-24-5.
What is the molecular formula of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate?
The molecular formula of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate is C16H18O4S.
What is the molecular weight of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate?
The molecular weight of 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate is 306.09 g/mol.
Where can I buy 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate?
You can request a quote for 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Tert-butyl-4-hydroxyphenyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.