Cyclopent-3-en-1-yl 4-methylbenzenesulfonate
TL;DR: Cyclopent-3-en-1-yl 4-methylbenzenesulfonate (CAS 36367-85-8) is a chemical compound with molecular formula C12H14O3S and molecular weight 238.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclopent-3-en-1-yl 4-methylbenzenesulfonate
Also Known As: cyclopent-3-en-1-yl 4-methylbenzenesulfonate, 4-(p-toluenesulfonyloxy)cyclopentene, cyclopent-3-en-1-yl 4-methylbenzene-1-sulfonate, NCI60_005154, cyclopent-3-en-1-yl4-methylbenzenesulfonate
| Molecular Formula | C12H14O3S |
|---|---|
| Molecular Weight | 238.07 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 | 238.06636 |
| Heavy Atoms | 16 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 36367-85-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OC2CC=CC2 |
| InChIKey | RRAUUFGVZBARFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cyclopent-3-en-1-yl 4-methylbenzenesulfonate (CAS 36367-85-8), with molecular formula C12H14O3S and molecular weight 238.07 g/mol. IUPAC: cyclopent-3-en-1-yl 4-methylbenzenesulfonate.
Chemical Property Profile of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate
Property Insights of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclopent-3-en-1-yl 4-methylbenzenesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, Cyclopent-3-en-1-yl 4-methylbenzenesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclopent-3-en-1-yl 4-methylbenzenesulfonate 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 Cyclopent-3-en-1-yl 4-methylbenzenesulfonate?
The CAS number of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate is 36367-85-8.
What is the molecular formula of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate?
The molecular formula of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate is C12H14O3S.
What is the molecular weight of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate?
The molecular weight of Cyclopent-3-en-1-yl 4-methylbenzenesulfonate is 238.07 g/mol.
Where can I buy Cyclopent-3-en-1-yl 4-methylbenzenesulfonate?
You can request a quote for Cyclopent-3-en-1-yl 4-methylbenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclopent-3-en-1-yl 4-methylbenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cyclopent-3-en-1-yl 4-methylbenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.