Allyl p-toluenesulphonate
TL;DR: Allyl p-toluenesulphonate (CAS 4873-09-0) is a chemical compound with molecular formula C10H12O3S and molecular weight 212.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 4-methylbenzenesulfonate
Also Known As: allyl 4-methylbenzenesulfonate, Allyl p-toluenesulphonate, Allyl p-toluenesulfonate, allyl tosylate, null
| Molecular Formula | C10H12O3S |
|---|---|
| Molecular Weight | 212.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.05072 |
| Heavy Atoms | 14 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4873-09-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC=C |
| InChIKey | ZSBJCQGJFPHZRC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Allyl p-toluenesulphonate (CAS 4873-09-0), with molecular formula C10H12O3S and molecular weight 212.05 g/mol. IUPAC: prop-2-enyl 4-methylbenzenesulfonate.
Chemical Property Profile of Allyl p-toluenesulphonate
Property Insights of Allyl p-toluenesulphonate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl p-toluenesulphonate. With a topological polar surface area (TPSA) of 51.8 Ų, Allyl p-toluenesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allyl p-toluenesulphonate 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 Allyl p-toluenesulphonate?
The CAS number of Allyl p-toluenesulphonate is 4873-09-0.
What is the molecular formula of Allyl p-toluenesulphonate?
The molecular formula of Allyl p-toluenesulphonate is C10H12O3S.
What is the molecular weight of Allyl p-toluenesulphonate?
The molecular weight of Allyl p-toluenesulphonate is 212.05 g/mol.
Where can I buy Allyl p-toluenesulphonate?
You can request a quote for Allyl p-toluenesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl p-toluenesulphonate?
Yes, KEHONG BIO provides custom synthesis services for Allyl p-toluenesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.