3-Fluoroprop-1-yl toluene-4-sulphonate
TL;DR: 3-Fluoroprop-1-yl toluene-4-sulphonate (CAS 312-68-5) is a chemical compound with molecular formula C10H13FO3S and molecular weight 232.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoropropyl 4-methylbenzenesulfonate
Also Known As: 3-fluoropropyl 4-methylbenzenesulfonate, 3-Fluoropropyl p-toluenesulfonate, fluoropropyl tosylate, 3-FLUOROPROPYL TOSYLATE, 3-fluoropropyltosylate
| Molecular Formula | C10H13FO3S |
|---|---|
| Molecular Weight | 232.06 g/mol |
| LogP | 2.05992 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.05695 |
| Heavy Atoms | 15 |
| Complexity | 397.1806 |
Chemical Identifiers
| CAS Number | 312-68-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCCCF |
Product Overview
3-Fluoroprop-1-yl toluene-4-sulphonate (CAS 312-68-5), with molecular formula C10H13FO3S and molecular weight 232.06 g/mol. IUPAC: 3-fluoropropyl 4-methylbenzenesulfonate.
Chemical Property Profile of 3-Fluoroprop-1-yl toluene-4-sulphonate
Property Insights of 3-Fluoroprop-1-yl toluene-4-sulphonate
The XLogP value of 2.05992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoroprop-1-yl toluene-4-sulphonate. With a topological polar surface area (TPSA) of 43.37 Ų, 3-Fluoroprop-1-yl toluene-4-sulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoroprop-1-yl 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 3-Fluoroprop-1-yl toluene-4-sulphonate?
The CAS number of 3-Fluoroprop-1-yl toluene-4-sulphonate is 312-68-5.
What is the molecular formula of 3-Fluoroprop-1-yl toluene-4-sulphonate?
The molecular formula of 3-Fluoroprop-1-yl toluene-4-sulphonate is C10H13FO3S.
What is the molecular weight of 3-Fluoroprop-1-yl toluene-4-sulphonate?
The molecular weight of 3-Fluoroprop-1-yl toluene-4-sulphonate is 232.06 g/mol.
Where can I buy 3-Fluoroprop-1-yl toluene-4-sulphonate?
You can request a quote for 3-Fluoroprop-1-yl 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 3-Fluoroprop-1-yl toluene-4-sulphonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoroprop-1-yl toluene-4-sulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.