2-Methylphenyl 4-tert-butylbenzenesulfonate
TL;DR: 2-Methylphenyl 4-tert-butylbenzenesulfonate (CAS 723264-40-2) is a chemical compound with molecular formula C17H20O3S and molecular weight 304.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl) 4-tert-butylbenzenesulfonate
Also Known As: 2-methylphenyl 4-tert-butylbenzenesulfonate, (2-methylphenyl) 4-tert-butylbenzenesulfonate, AN-652/43024598
| Molecular Formula | C17H20O3S |
|---|---|
| Molecular Weight | 304.11 g/mol |
| LogP | 4.06022 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.1133 |
| Heavy Atoms | 21 |
| Complexity | 723.3757 |
Chemical Identifiers
| CAS Number | 723264-40-2 |
|---|---|
| SMILES | CC1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C |
Product Overview
2-Methylphenyl 4-tert-butylbenzenesulfonate (CAS 723264-40-2), with molecular formula C17H20O3S and molecular weight 304.11 g/mol. IUPAC: (2-methylphenyl) 4-tert-butylbenzenesulfonate.
Chemical Property Profile of 2-Methylphenyl 4-tert-butylbenzenesulfonate
Property Insights of 2-Methylphenyl 4-tert-butylbenzenesulfonate
The XLogP value of 4.06022 indicates that 2-Methylphenyl 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, 2-Methylphenyl 4-tert-butylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylphenyl 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 2-Methylphenyl 4-tert-butylbenzenesulfonate?
The CAS number of 2-Methylphenyl 4-tert-butylbenzenesulfonate is 723264-40-2.
What is the molecular formula of 2-Methylphenyl 4-tert-butylbenzenesulfonate?
The molecular formula of 2-Methylphenyl 4-tert-butylbenzenesulfonate is C17H20O3S.
What is the molecular weight of 2-Methylphenyl 4-tert-butylbenzenesulfonate?
The molecular weight of 2-Methylphenyl 4-tert-butylbenzenesulfonate is 304.11 g/mol.
Where can I buy 2-Methylphenyl 4-tert-butylbenzenesulfonate?
You can request a quote for 2-Methylphenyl 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 2-Methylphenyl 4-tert-butylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylphenyl 4-tert-butylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.