Phenyl 4-tert-butylbenzenesulfonate
TL;DR: Phenyl 4-tert-butylbenzenesulfonate (CAS 116013-82-2) is a chemical compound with molecular formula C16H18O3S and molecular weight 290.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 4-tert-butylbenzenesulfonate
Also Known As: phenyl 4-tert-butylbenzenesulfonate, phenyl 4-tert-butylbenzene-1-sulfonate, 4-tert-Butylbenzenesulfonic acid phenyl ester, J2.825.921B, AN-652/43024600
| Molecular Formula | C16H18O3S |
|---|---|
| Molecular Weight | 290.10 g/mol |
| LogP | 3.7518 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.09766 |
| Heavy Atoms | 20 |
| Complexity | 665.912 |
Chemical Identifiers
| CAS Number | 116013-82-2 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC=C2 |
Product Overview
Phenyl 4-tert-butylbenzenesulfonate (CAS 116013-82-2), with molecular formula C16H18O3S and molecular weight 290.10 g/mol. IUPAC: phenyl 4-tert-butylbenzenesulfonate.
Chemical Property Profile of Phenyl 4-tert-butylbenzenesulfonate
Property Insights of Phenyl 4-tert-butylbenzenesulfonate
The XLogP value of 3.7518 indicates that Phenyl 4-tert-butylbenzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, Phenyl 4-tert-butylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenyl 4-tert-butylbenzenesulfonate has 0 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 Phenyl 4-tert-butylbenzenesulfonate?
The CAS number of Phenyl 4-tert-butylbenzenesulfonate is 116013-82-2.
What is the molecular formula of Phenyl 4-tert-butylbenzenesulfonate?
The molecular formula of Phenyl 4-tert-butylbenzenesulfonate is C16H18O3S.
What is the molecular weight of Phenyl 4-tert-butylbenzenesulfonate?
The molecular weight of Phenyl 4-tert-butylbenzenesulfonate is 290.10 g/mol.
Where can I buy Phenyl 4-tert-butylbenzenesulfonate?
You can request a quote for Phenyl 4-tert-butylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenyl 4-tert-butylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Phenyl 4-tert-butylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.