Cyclopentyl 4-methylbenzene-1-sulfonate
TL;DR: Cyclopentyl 4-methylbenzene-1-sulfonate (CAS 3558-06-3) is a chemical compound with molecular formula C12H16O3S and molecular weight 240.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopentyl 4-methylbenzenesulfonate
Also Known As: cyclopentyl tosylate, CHEMHERE CHEM42456, cyclopentyl 4-methylbenzene-1-sulfonate, cyclopentyl 4-methylbenzenesulfonate, cyclopentyl p-toluenesulfonate
| Molecular Formula | C12H16O3S |
|---|---|
| Molecular Weight | 240.08 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 240.08202 |
| Heavy Atoms | 16 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 3558-06-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CCCC2 |
| InChIKey | ZWOQVPFVARFZSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopentyl 4-methylbenzene-1-sulfonate (CAS 3558-06-3), with molecular formula C12H16O3S and molecular weight 240.08 g/mol. IUPAC: cyclopentyl 4-methylbenzenesulfonate.
Chemical Property Profile of Cyclopentyl 4-methylbenzene-1-sulfonate
Property Insights of Cyclopentyl 4-methylbenzene-1-sulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopentyl 4-methylbenzene-1-sulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Cyclopentyl 4-methylbenzene-1-sulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopentyl 4-methylbenzene-1-sulfonate 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 Cyclopentyl 4-methylbenzene-1-sulfonate?
The CAS number of Cyclopentyl 4-methylbenzene-1-sulfonate is 3558-06-3.
What is the molecular formula of Cyclopentyl 4-methylbenzene-1-sulfonate?
The molecular formula of Cyclopentyl 4-methylbenzene-1-sulfonate is C12H16O3S.
What is the molecular weight of Cyclopentyl 4-methylbenzene-1-sulfonate?
The molecular weight of Cyclopentyl 4-methylbenzene-1-sulfonate is 240.08 g/mol.
Where can I buy Cyclopentyl 4-methylbenzene-1-sulfonate?
You can request a quote for Cyclopentyl 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 Cyclopentyl 4-methylbenzene-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopentyl 4-methylbenzene-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.