Ethyl 4-(tert-butyl)benzenesulfonate
TL;DR: Ethyl 4-(tert-butyl)benzenesulfonate (CAS 339370-19-3) is a chemical compound with molecular formula C12H18O3S and molecular weight 242.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-tert-butylbenzenesulfonate
Also Known As: ethyl 4-(tert-butyl)benzenesulfonate, starbld0049201, ethyl 4-tert-butylbenzenesulfonate, 1-ethoxysulfonyl-4-tert-butyl-benzene, 4-(1,1-Dimethylethyl)-ethyl ester-benzenesulfonic Acid
| Molecular Formula | C12H18O3S |
|---|---|
| Molecular Weight | 242.10 g/mol |
| LogP | 2.7093 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.09767 |
| Heavy Atoms | 16 |
| Complexity | 438.14737 |
Chemical Identifiers
| CAS Number | 339370-19-3 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=CC=C(C=C1)C(C)(C)C |
Product Overview
Ethyl 4-(tert-butyl)benzenesulfonate (CAS 339370-19-3), with molecular formula C12H18O3S and molecular weight 242.10 g/mol. IUPAC: ethyl 4-tert-butylbenzenesulfonate.
Chemical Property Profile of Ethyl 4-(tert-butyl)benzenesulfonate
Property Insights of Ethyl 4-(tert-butyl)benzenesulfonate
The XLogP value of 2.7093 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-(tert-butyl)benzenesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 4-(tert-butyl)benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-(tert-butyl)benzenesulfonate 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 Ethyl 4-(tert-butyl)benzenesulfonate?
The CAS number of Ethyl 4-(tert-butyl)benzenesulfonate is 339370-19-3.
What is the molecular formula of Ethyl 4-(tert-butyl)benzenesulfonate?
The molecular formula of Ethyl 4-(tert-butyl)benzenesulfonate is C12H18O3S.
What is the molecular weight of Ethyl 4-(tert-butyl)benzenesulfonate?
The molecular weight of Ethyl 4-(tert-butyl)benzenesulfonate is 242.10 g/mol.
Where can I buy Ethyl 4-(tert-butyl)benzenesulfonate?
You can request a quote for Ethyl 4-(tert-butyl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-(tert-butyl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-(tert-butyl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.