2-Chloropropyl toluene-4-sulphonate
TL;DR: 2-Chloropropyl toluene-4-sulphonate (CAS 54619-29-3) is a chemical compound with molecular formula C10H13ClO3S and molecular weight 248.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloropropyl 4-methylbenzenesulfonate
Also Known As: 2-Chloropropyl toluene-4-sulphonate, 2-chloropropyl 4-methylbenzenesulfonate, 2-Chloro-1-propyl tosylate, 2-chloropropyl-p-toluenesulfonate, 2-chloropropyltoluene-4-sulphonate
| Molecular Formula | C10H13ClO3S |
|---|---|
| Molecular Weight | 248.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.02739 |
| Heavy Atoms | 15 |
| Complexity | 276.0 |
Chemical Identifiers
| CAS Number | 54619-29-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)Cl |
| InChIKey | DTCLMCCJGBPJJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloropropyl toluene-4-sulphonate (CAS 54619-29-3), with molecular formula C10H13ClO3S and molecular weight 248.03 g/mol. IUPAC: 2-chloropropyl 4-methylbenzenesulfonate.
Chemical Property Profile of 2-Chloropropyl toluene-4-sulphonate
Property Insights of 2-Chloropropyl toluene-4-sulphonate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloropropyl toluene-4-sulphonate. With a topological polar surface area (TPSA) of 51.8 Ų, 2-Chloropropyl toluene-4-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloropropyl toluene-4-sulphonate 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 2-Chloropropyl toluene-4-sulphonate?
The CAS number of 2-Chloropropyl toluene-4-sulphonate is 54619-29-3.
What is the molecular formula of 2-Chloropropyl toluene-4-sulphonate?
The molecular formula of 2-Chloropropyl toluene-4-sulphonate is C10H13ClO3S.
What is the molecular weight of 2-Chloropropyl toluene-4-sulphonate?
The molecular weight of 2-Chloropropyl toluene-4-sulphonate is 248.03 g/mol.
Where can I buy 2-Chloropropyl toluene-4-sulphonate?
You can request a quote for 2-Chloropropyl toluene-4-sulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloropropyl toluene-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloropropyl toluene-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.