1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate
TL;DR: 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate (CAS 84836-44-2) is a chemical compound with molecular formula C14H15F3O3S and molecular weight 320.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-adamantylidene)prop-2-ynyl trifluoromethanesulfonate
Also Known As: 1-(2-adamantylidene)prop-2-ynyl trifluoromethanesulfonate, 1-(Tricyclo[3.3.1.1~3,7~]decan-2-ylidene)prop-2-yn-1-yl trifluoromethanesulfonate
| Molecular Formula | C14H15F3O3S |
|---|---|
| Molecular Weight | 320.07 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 320.0694 |
| Heavy Atoms | 21 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 84836-44-2 |
|---|---|
| SMILES | C#CC(=C1C2CC3CC(C2)CC1C3)OS(=O)(=O)C(F)(F)F |
| InChIKey | YWZGGYYRGJTSNF-UHFFFAOYSA-N |
Product Overview
1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate (CAS 84836-44-2), with molecular formula C14H15F3O3S and molecular weight 320.07 g/mol. IUPAC: 1-(2-adamantylidene)prop-2-ynyl trifluoromethanesulfonate.
Chemical Property Profile of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate
Property Insights of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate
The XLogP value of 4.0 indicates that 1-(2-Adamantylidene)prop-2-ynyl 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, 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Adamantylidene)prop-2-ynyl 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 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate?
The CAS number of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate is 84836-44-2.
What is the molecular formula of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate?
The molecular formula of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate is C14H15F3O3S.
What is the molecular weight of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate?
The molecular weight of 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate is 320.07 g/mol.
Where can I buy 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate?
You can request a quote for 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Adamantylidene)prop-2-ynyl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.