3,3-Dimethylbutan-2-yl methanesulfonate
TL;DR: 3,3-Dimethylbutan-2-yl methanesulfonate (CAS 67764-23-2) is a chemical compound with molecular formula C7H16O3S and molecular weight 180.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethylbutan-2-yl methanesulfonate
Also Known As: 3,3-dimethylbutan-2-yl methanesulfonate, 3,3-Dimethyl-2-butyl methanesulfonate, 3,3-Dimethyl-2-butanol methanesulfonate, 3,3-Dimethyl-2-butyl methanesulphonate, 2-Butanol, 3,3-dimethyl-, methanesulfonate
| Molecular Formula | C7H16O3S |
|---|---|
| Molecular Weight | 180.08 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08202 |
| Heavy Atoms | 11 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 67764-23-2 |
|---|---|
| SMILES | CC(C(C)(C)C)OS(=O)(=O)C |
| InChIKey | RONIPIKRZUERBK-UHFFFAOYSA-N |
Product Overview
3,3-Dimethylbutan-2-yl methanesulfonate (CAS 67764-23-2), with molecular formula C7H16O3S and molecular weight 180.08 g/mol. IUPAC: 3,3-dimethylbutan-2-yl methanesulfonate.
Chemical Property Profile of 3,3-Dimethylbutan-2-yl methanesulfonate
Property Insights of 3,3-Dimethylbutan-2-yl methanesulfonate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethylbutan-2-yl methanesulfonate. With a topological polar surface area (TPSA) of 51.8 Ų, 3,3-Dimethylbutan-2-yl methanesulfonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethylbutan-2-yl 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 3,3-Dimethylbutan-2-yl methanesulfonate?
The CAS number of 3,3-Dimethylbutan-2-yl methanesulfonate is 67764-23-2.
What is the molecular formula of 3,3-Dimethylbutan-2-yl methanesulfonate?
The molecular formula of 3,3-Dimethylbutan-2-yl methanesulfonate is C7H16O3S.
What is the molecular weight of 3,3-Dimethylbutan-2-yl methanesulfonate?
The molecular weight of 3,3-Dimethylbutan-2-yl methanesulfonate is 180.08 g/mol.
Where can I buy 3,3-Dimethylbutan-2-yl methanesulfonate?
You can request a quote for 3,3-Dimethylbutan-2-yl methanesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethylbutan-2-yl methanesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethylbutan-2-yl methanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.