6,6-Dimethyl-4-heptynyl methanesulfonate
TL;DR: 6,6-Dimethyl-4-heptynyl methanesulfonate (CAS 138138-98-4) is a chemical compound with molecular formula C10H18O3S and molecular weight 218.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,6-dimethylhept-4-ynyl methanesulfonate
Also Known As: 6,6-dimethyl-4-heptynyl methanesulfonate, 2,2-dimethyl-7-methylsulfonyloxy-hept-3-yne, 4-Heptyn-1-ol, 6,6-dimethyl-, 1-methanesulfonate
| Molecular Formula | C10H18O3S |
|---|---|
| Molecular Weight | 218.10 g/mol |
| LogP | 1.7923 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 218.09767 |
| Heavy Atoms | 14 |
| Complexity | 311.50183 |
Chemical Identifiers
| CAS Number | 138138-98-4 |
|---|---|
| SMILES | CC(C)(C)C#CCCCOS(=O)(=O)C |
Product Overview
6,6-Dimethyl-4-heptynyl methanesulfonate (CAS 138138-98-4), with molecular formula C10H18O3S and molecular weight 218.10 g/mol. IUPAC: 6,6-dimethylhept-4-ynyl methanesulfonate.
Chemical Property Profile of 6,6-Dimethyl-4-heptynyl methanesulfonate
Property Insights of 6,6-Dimethyl-4-heptynyl methanesulfonate
The XLogP value of 1.7923 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6,6-Dimethyl-4-heptynyl methanesulfonate. With a topological polar surface area (TPSA) of 43.37 Ų, 6,6-Dimethyl-4-heptynyl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,6-Dimethyl-4-heptynyl 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 6,6-Dimethyl-4-heptynyl methanesulfonate?
The CAS number of 6,6-Dimethyl-4-heptynyl methanesulfonate is 138138-98-4.
What is the molecular formula of 6,6-Dimethyl-4-heptynyl methanesulfonate?
The molecular formula of 6,6-Dimethyl-4-heptynyl methanesulfonate is C10H18O3S.
What is the molecular weight of 6,6-Dimethyl-4-heptynyl methanesulfonate?
The molecular weight of 6,6-Dimethyl-4-heptynyl methanesulfonate is 218.10 g/mol.
Where can I buy 6,6-Dimethyl-4-heptynyl methanesulfonate?
You can request a quote for 6,6-Dimethyl-4-heptynyl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,6-Dimethyl-4-heptynyl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 6,6-Dimethyl-4-heptynyl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.