4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate
TL;DR: 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate (CAS 71451-07-5) is a chemical compound with molecular formula C7H7F3O3S and molecular weight 228.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate
Also Known As: 4-methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate, RefChem:294621
| Molecular Formula | C7H7F3O3S |
|---|---|
| Molecular Weight | 228.01 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.0068 |
| Heavy Atoms | 14 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 71451-07-5 |
|---|---|
| SMILES | CC(=C(C#C)OS(=O)(=O)C(F)(F)F)C |
| InChIKey | TZMSUVCOGCBGNS-UHFFFAOYSA-N |
Product Overview
4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate (CAS 71451-07-5), with molecular formula C7H7F3O3S and molecular weight 228.01 g/mol. IUPAC: 4-methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate.
Chemical Property Profile of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate
Property Insights of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpent-3-en-1-yn-3-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 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate?
The CAS number of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate is 71451-07-5.
What is the molecular formula of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate?
The molecular formula of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate is C7H7F3O3S.
What is the molecular weight of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate?
The molecular weight of 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate is 228.01 g/mol.
Where can I buy 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate?
You can request a quote for 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 4-Methylpent-3-en-1-yn-3-yl trifluoromethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.