2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate
TL;DR: 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate (CAS 23515-28-8) is a chemical compound with molecular formula C15H22O5S2 and molecular weight 346.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,2-dimethyl-1,1-dioxothietan-3-yl)propyl 4-methylbenzenesulfonate
Also Known As: 2-(2,2-dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate, 2-(2,2-dimethyl-1,1-dioxothietan-3-yl)propyl 4-methylbenzene, 2-(2,2-dimethyl-1,1-dioxothietan-3-yl)propyl 4-methylbenzenesulfonate, 2-(2,2-dimethyl-1,1-dioxido-3-thietanyl)propyl 4-methylbenzenesulfonate, 2-(2,2-Dimethyl-1,1-dioxo-1lambda~6~-thietan-3-yl)propyl 4-methylbenzene-1-sulfonate
| Molecular Formula | C15H22O5S2 |
|---|---|
| Molecular Weight | 346.09 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 346.09088 |
| Heavy Atoms | 22 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 23515-28-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C2CS(=O)(=O)C2(C)C |
| InChIKey | JIOPURBIBVJCGQ-UHFFFAOYSA-N |
Product Overview
2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate (CAS 23515-28-8), with molecular formula C15H22O5S2 and molecular weight 346.09 g/mol. IUPAC: 2-(2,2-dimethyl-1,1-dioxothietan-3-yl)propyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate
Property Insights of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate. Following Lipinski's Rule of Five, 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate has 0 hydrogen bond donor(s) and 5 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-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate?
The CAS number of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate is 23515-28-8.
What is the molecular formula of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate?
The molecular formula of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate is C15H22O5S2.
What is the molecular weight of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate?
The molecular weight of 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate is 346.09 g/mol.
Where can I buy 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate?
You can request a quote for 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,2-Dimethyl-1,1-dioxidothietan-3-yl)propyl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.