Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate
TL;DR: Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate (CAS 94004-50-9) is a chemical compound with molecular formula C17H28O3S and molecular weight 312.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate
Also Known As: ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate, ethyl 2,4,6-tris(1-methylethyl)benzenesulfonate, Ethyl 2,4,6-tri(propan-2-yl)benzene-1-sulfonate, Benzenesulfonic acid,2,4,6-tris(1-methylethyl)-, ethyl ester, RefChem:342211
| Molecular Formula | C17H28O3S |
|---|---|
| Molecular Weight | 312.18 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 312.1759 |
| Heavy Atoms | 21 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 94004-50-9 |
|---|---|
| SMILES | CCOS(=O)(=O)C1=C(C=C(C=C1C(C)C)C(C)C)C(C)C |
| InChIKey | BPNGKKNDMBIPMR-UHFFFAOYSA-N |
Product Overview
Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate (CAS 94004-50-9), with molecular formula C17H28O3S and molecular weight 312.18 g/mol. IUPAC: ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate.
Chemical Property Profile of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate
Property Insights of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate
The XLogP value of 5.0 indicates that Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,4,6-tri(propan-2-yl)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 2,4,6-tri(propan-2-yl)benzenesulfonate?
The CAS number of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 94004-50-9.
What is the molecular formula of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate?
The molecular formula of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is C17H28O3S.
What is the molecular weight of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate?
The molecular weight of Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate is 312.18 g/mol.
Where can I buy Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate?
You can request a quote for Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,4,6-tri(propan-2-yl)benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.