Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
TL;DR: Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) (CAS 80-41-1) is a chemical compound with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl 4-methylbenzenesulfonate
Also Known As: 2-Chloroethyl p-toluenesulfonate, 2-Chloroethyl 4-methylbenzenesulfonate, 2-Chloroethyl tosylate, 2-Chloroethyl p-tosylate, 2-Tosyloxyethyl chloride
| Molecular Formula | C9H11ClO3S |
|---|---|
| Molecular Weight | 234.01 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 234.01175 |
| Heavy Atoms | 14 |
| Complexity | 250.0 |
Chemical Identifiers
| CAS Number | 80-41-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCl |
| InChIKey | ZXNMIUJDTOMBPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) (CAS 80-41-1), with molecular formula C9H11ClO3S and molecular weight 234.01 g/mol. IUPAC: 2-chloroethyl 4-methylbenzenesulfonate.
Chemical Property Profile of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
Property Insights of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate). With a topological polar surface area (TPSA) of 51.8 Ų, Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 2-chloro-, 1-(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 Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
The CAS number of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) is 80-41-1.
What is the molecular formula of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
The molecular formula of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) is C9H11ClO3S.
What is the molecular weight of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
The molecular weight of Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) is 234.01 g/mol.
Where can I buy Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
You can request a quote for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate)?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 2-chloro-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.