3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)
TL;DR: 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) (CAS 71394-00-8) is a chemical compound with molecular formula C12H16O3S and molecular weight 240.08202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylbut-3-enyl 4-methylbenzenesulfonate
Also Known As: 2-Methyl-3-buten-1-ol p-toluenesulfonate, 3-Buten-1-ol, 2-methyl-, 4-methylbenzenesulfonate, 2-methylbut-3-enyl 4-methylbenzenesulfonate, 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate), 2-methylbut-3-en-1-yl 4-methylbenzene-1-sulfonate
Technical Specifications
| Molecular Formula | C12H16O3S |
| Molecular Weight | 240.08202 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 51.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 240.08202 Da |
| Heavy Atoms | 16 |
| Complexity | 308.0 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)OCC(C)C=C |
| InChIKey | QEDLZPCODIVQPU-UHFFFAOYSA-N |
Chemical Property Profile of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)
Property Insights of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate). With a topological polar surface area (TPSA) of 51.8 Ų, 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) 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
What is the CAS number of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)?
The CAS number of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) is 71394-00-8.
What is the molecular formula of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)?
The molecular formula of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) is C12H16O3S.
What is the molecular weight of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)?
The molecular weight of 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) is 240.08202 g/mol.
Where can I buy 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)?
You can request a quote for 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate)?
Yes, CoreyChem provides custom synthesis services for 3-Buten-1-ol, 2-methyl-, 1-(4-methylbenzenesulfonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.