3-Bromopropyl 1,1,1-trifluoromethanesulfonate
TL;DR: 3-Bromopropyl 1,1,1-trifluoromethanesulfonate (CAS 103935-48-4) is a chemical compound with molecular formula C4H6BrF3O3S and molecular weight 269.9173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromopropyl trifluoromethanesulfonate
Also Known As: 3-bromopropyl trifluoromethanesulfonate, 3-bromopropyl triflate, 3-Bromopropyl-1-triflate, 3-Bromopropyl-1-trifluoromethanesulfonate, 3-bromopropyltrifluoromethanesulfonate
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H6BrF3O3S |
| Molecular Weight | 269.9173 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.9173 Da |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
| SMILES | C(COS(=O)(=O)C(F)(F)F)CBr |
| InChIKey | SEAVCWYCBPZIEO-UHFFFAOYSA-N |
Product Description
Applications: 3-Bromopropyl 1,1,1-trifluoromethanesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-Bromopropyl 1,1,1-trifluoromethanesulfonate (CAS 103935-48-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 3-Bromopropyl 1,1,1-trifluoromethanesulfonate (CAS 103935-48-4) has the molecular formula C4H6BrF3O3S and a molecular weight of 269.92 g/mol. It is also known as 3-bromopropyl trifluoromethanesulfonate and 3-bromopropyl triflate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate
Property Insights of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromopropyl 1,1,1-trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 3-Bromopropyl 1,1,1-trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromopropyl 1,1,1-trifluoromethanesulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate?
The CAS number of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate is 103935-48-4.
What is the molecular formula of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate?
The molecular formula of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate is C4H6BrF3O3S.
What is the molecular weight of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate?
The molecular weight of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate is 269.9173 g/mol.
What are the applications of 3-Bromopropyl 1,1,1-trifluoromethanesulfonate?
3-Bromopropyl 1,1,1-trifluoromethanesulfonate is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies...
Where can I buy 3-Bromopropyl 1,1,1-trifluoromethanesulfonate?
You can request a quote for 3-Bromopropyl 1,1,1-trifluoromethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromopropyl 1,1,1-trifluoromethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 3-Bromopropyl 1,1,1-trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.