5,5-Dimethyloct-3-ynyl methanesulfonate
TL;DR: 5,5-Dimethyloct-3-ynyl methanesulfonate (CAS 154027-48-2) is a chemical compound with molecular formula C11H20O3S and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyloct-3-ynyl methanesulfonate
Also Known As: 5,5-dimethyl-1-methylsulfonyloxy-oct-3-yne, 3-Octyn-1-ol, 5,5-dimethyl-, 1-methanesulfonate
| Molecular Formula | C11H20O3S |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.1824 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 232.11331 |
| Heavy Atoms | 15 |
| Complexity | 330.57986 |
Chemical Identifiers
| CAS Number | 154027-48-2 |
|---|---|
| SMILES | CCCC(C)(C)C#CCCOS(=O)(=O)C |
Product Overview
5,5-Dimethyloct-3-ynyl methanesulfonate (CAS 154027-48-2), with molecular formula C11H20O3S and molecular weight 232.11 g/mol. IUPAC: 5,5-dimethyloct-3-ynyl methanesulfonate.
Chemical Property Profile of 5,5-Dimethyloct-3-ynyl methanesulfonate
Property Insights of 5,5-Dimethyloct-3-ynyl methanesulfonate
The XLogP value of 2.1824 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyloct-3-ynyl methanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 5,5-Dimethyloct-3-ynyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyloct-3-ynyl methanesulfonate 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 5,5-Dimethyloct-3-ynyl methanesulfonate?
The CAS number of 5,5-Dimethyloct-3-ynyl methanesulfonate is 154027-48-2.
What is the molecular formula of 5,5-Dimethyloct-3-ynyl methanesulfonate?
The molecular formula of 5,5-Dimethyloct-3-ynyl methanesulfonate is C11H20O3S.
What is the molecular weight of 5,5-Dimethyloct-3-ynyl methanesulfonate?
The molecular weight of 5,5-Dimethyloct-3-ynyl methanesulfonate is 232.11 g/mol.
Where can I buy 5,5-Dimethyloct-3-ynyl methanesulfonate?
You can request a quote for 5,5-Dimethyloct-3-ynyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyloct-3-ynyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyloct-3-ynyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.