2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate
TL;DR: 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate (CAS 723290-45-7) is a chemical compound with molecular formula C18H22O3S and molecular weight 318.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate
Also Known As: 2,3-dimethylphenyl 4-tert-butylbenzenesulfonate, (2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate, AN-652/43024858
| Molecular Formula | C18H22O3S |
|---|---|
| Molecular Weight | 318.13 g/mol |
| LogP | 4.36864 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 318.12897 |
| Heavy Atoms | 22 |
| Complexity | 766.96985 |
Chemical Identifiers
| CAS Number | 723290-45-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C(C)(C)C)C |
Product Overview
2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate (CAS 723290-45-7), with molecular formula C18H22O3S and molecular weight 318.13 g/mol. IUPAC: (2,3-dimethylphenyl) 4-tert-butylbenzenesulfonate.
Chemical Property Profile of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate
Property Insights of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate
The XLogP value of 4.36864 indicates that 2,3-Dimethylphenyl 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, 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylphenyl 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 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate?
The CAS number of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate is 723290-45-7.
What is the molecular formula of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate?
The molecular formula of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate is C18H22O3S.
What is the molecular weight of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate?
The molecular weight of 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate is 318.13 g/mol.
Where can I buy 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate?
You can request a quote for 2,3-Dimethylphenyl 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 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylphenyl 4-tert-butylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.