Cyclohept-1-en-1-yl trifluoromethanesulfonate
TL;DR: Cyclohept-1-en-1-yl trifluoromethanesulfonate (CAS 28075-51-6) is a chemical compound with molecular formula C8H11F3O3S and molecular weight 244.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohepten-1-yl trifluoromethanesulfonate
Also Known As: cyclohept-1-en-1-yl trifluoromethanesulfonate, cyclohepten-1-yl trifluoromethanesulfonate, 1-Cycloheptenyl trifluoromethanesulfonate, 1-(TRIFLUOROMETHYLSULFONYLOXY)CYCLOHEPTENE, 1-(Trifluoromethylsulfonyloxy)-1-cycloheptene
| Molecular Formula | C8H11F3O3S |
|---|---|
| Molecular Weight | 244.04 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 244.0381 |
| Heavy Atoms | 15 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 28075-51-6 |
|---|---|
| SMILES | C1CCC=C(CC1)OS(=O)(=O)C(F)(F)F |
| InChIKey | NIHXETKTKWAKCX-UHFFFAOYSA-N |
Product Overview
Cyclohept-1-en-1-yl trifluoromethanesulfonate (CAS 28075-51-6), with molecular formula C8H11F3O3S and molecular weight 244.04 g/mol. IUPAC: cyclohepten-1-yl trifluoromethanesulfonate.
Chemical Property Profile of Cyclohept-1-en-1-yl trifluoromethanesulfonate
Property Insights of Cyclohept-1-en-1-yl trifluoromethanesulfonate
The XLogP value of 3.3 indicates that Cyclohept-1-en-1-yl trifluoromethanesulfonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Cyclohept-1-en-1-yl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohept-1-en-1-yl 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
Frequently Asked Questions
What is the CAS number of Cyclohept-1-en-1-yl trifluoromethanesulfonate?
The CAS number of Cyclohept-1-en-1-yl trifluoromethanesulfonate is 28075-51-6.
What is the molecular formula of Cyclohept-1-en-1-yl trifluoromethanesulfonate?
The molecular formula of Cyclohept-1-en-1-yl trifluoromethanesulfonate is C8H11F3O3S.
What is the molecular weight of Cyclohept-1-en-1-yl trifluoromethanesulfonate?
The molecular weight of Cyclohept-1-en-1-yl trifluoromethanesulfonate is 244.04 g/mol.
Where can I buy Cyclohept-1-en-1-yl trifluoromethanesulfonate?
You can request a quote for Cyclohept-1-en-1-yl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohept-1-en-1-yl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Cyclohept-1-en-1-yl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.