2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate
TL;DR: 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate (CAS 57587-09-4) is a chemical compound with molecular formula C16H16O5S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate
Also Known As: 2-(1,3-dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate, 2-(1,3-Benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate, 2-(1,3-Benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate #, 1-(1,3-Benzodioxol-5-yl)-2-[[(4-methylphenyl)sulfonyl]oxy]ethane
| Molecular Formula | C16H16O5S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 320.07184 |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
Chemical Identifiers
| CAS Number | 57587-09-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCC2=CC3=C(C=C2)OCO3 |
| InChIKey | FYPJXNPPDNIJOS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate (CAS 57587-09-4), with molecular formula C16H16O5S and molecular weight 320.07 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)ethyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate
Property Insights of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate
The XLogP value of 3.3 indicates that 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate. Following Lipinski's Rule of Five, 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate 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-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate?
The CAS number of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate is 57587-09-4.
What is the molecular formula of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate?
The molecular formula of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate is C16H16O5S.
What is the molecular weight of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate?
The molecular weight of 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate is 320.07 g/mol.
Where can I buy 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate?
You can request a quote for 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Dioxaindan-5-yl)ethyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.