3-溴丙基1,1,1-三氟甲磺酸酯
TL;DR: 3-溴丙基1,1,1-三氟甲磺酸酯 (CAS 103935-48-4) is a chemical compound with molecular formula C4H6BrF3O3S and molecular weight 269.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴丙基1,1,1-三氟甲磺酸酯
3-bromopropyl trifluoromethanesulfonate
Also Known As: 3-bromopropyl trifluoromethanesulfonate, 3-bromopropyl triflate, 3-Bromopropyl-1-triflate, 3-Bromopropyl-1-trifluoromethanesulfonate, 3-bromopropyltrifluoromethanesulfonate
| Molecular Formula | C4H6BrF3O3S |
|---|---|
| Molecular Weight | 269.92 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 269.9173 |
| Heavy Atoms | 12 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 103935-48-4 |
|---|---|
| SMILES | C(COS(=O)(=O)C(F)(F)F)CBr |
| InChIKey | SEAVCWYCBPZIEO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴丙基1,1,1-三氟甲磺酸酯 (CAS 103935-48-4), with molecular formula C4H6BrF3O3S and molecular weight 269.92 g/mol. IUPAC: 3-bromopropyl trifluoromethanesulfonate.
Chemical Property Profile of 3-溴丙基1,1,1-三氟甲磺酸酯
Property Insights of 3-溴丙基1,1,1-三氟甲磺酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-溴丙基1,1,1-三氟甲磺酸酯. With a topological polar surface area (TPSA) of 51.8 Ų, 3-溴丙基1,1,1-三氟甲磺酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴丙基1,1,1-三氟甲磺酸酯 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
Frequently Asked Questions
What is the CAS number of 3-溴丙基1,1,1-三氟甲磺酸酯?
The CAS number of 3-溴丙基1,1,1-三氟甲磺酸酯 is 103935-48-4.
What is the molecular formula of 3-溴丙基1,1,1-三氟甲磺酸酯?
The molecular formula of 3-溴丙基1,1,1-三氟甲磺酸酯 is C4H6BrF3O3S.
What is the molecular weight of 3-溴丙基1,1,1-三氟甲磺酸酯?
The molecular weight of 3-溴丙基1,1,1-三氟甲磺酸酯 is 269.92 g/mol.
Where can I buy 3-溴丙基1,1,1-三氟甲磺酸酯?
You can request a quote for 3-溴丙基1,1,1-三氟甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴丙基1,1,1-三氟甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴丙基1,1,1-三氟甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.