1H,1H-Heptafluorobutyl trifluoromethanesulphonate
TL;DR: 1H,1H-Heptafluorobutyl trifluoromethanesulphonate (CAS 6401-01-0) is a chemical compound with molecular formula C5H2F10O3S and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate
Also Known As: 1H,1H-Heptafluorobutyl triflate, 2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate, 1H,1H-Heptafluorobutyl trifluoromethanesulfonate, 3-BROMO-6-METHYL-1H-INDOLE, 7252AE
| Molecular Formula | C5H2F10O3S |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 2.6855 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 331.95648 |
| Heavy Atoms | 19 |
| Complexity | 417.4265 |
Chemical Identifiers
| CAS Number | 6401-01-0 |
|---|---|
| SMILES | C(C(C(C(F)(F)F)(F)F)(F)F)OS(=O)(=O)C(F)(F)F |
Product Overview
1H,1H-Heptafluorobutyl trifluoromethanesulphonate (CAS 6401-01-0), with molecular formula C5H2F10O3S and molecular weight 331.96 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate.
Chemical Property Profile of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate
Property Insights of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate
The XLogP value of 2.6855 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H,1H-Heptafluorobutyl trifluoromethanesulphonate. With a topological polar surface area (TPSA) of 43.37 Ų, 1H,1H-Heptafluorobutyl trifluoromethanesulphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H,1H-Heptafluorobutyl trifluoromethanesulphonate 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 1H,1H-Heptafluorobutyl trifluoromethanesulphonate?
The CAS number of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate is 6401-01-0.
What is the molecular formula of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate?
The molecular formula of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate is C5H2F10O3S.
What is the molecular weight of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate?
The molecular weight of 1H,1H-Heptafluorobutyl trifluoromethanesulphonate is 331.96 g/mol.
Where can I buy 1H,1H-Heptafluorobutyl trifluoromethanesulphonate?
You can request a quote for 1H,1H-Heptafluorobutyl trifluoromethanesulphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H,1H-Heptafluorobutyl trifluoromethanesulphonate?
Yes, KEHONG BIO provides custom synthesis services for 1H,1H-Heptafluorobutyl trifluoromethanesulphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.