4-Methylpentyl hydrogen sulfate
TL;DR: 4-Methylpentyl hydrogen sulfate (CAS 122842-70-0) is a chemical compound with molecular formula C6H14O4S and molecular weight 182.06128 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpentyl hydrogen sulfate
Also Known As: 4-methylpentyl hydrogen sulfate, 4-methyl-1-sulfooxy-pentane, 1-Pentanol, 4-methyl-, 1-(hydrogen sulfate)
Technical Specifications
| Molecular Formula | C6H14O4S |
| Molecular Weight | 182.06128 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 182.06128 Da |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
| SMILES | CC(C)CCCOS(=O)(=O)O |
| InChIKey | FEEYNXDSAXEPRK-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylpentyl hydrogen sulfate
Property Insights of 4-Methylpentyl hydrogen sulfate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methylpentyl hydrogen sulfate. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methylpentyl hydrogen sulfate. Following Lipinski's Rule of Five, 4-Methylpentyl hydrogen sulfate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylpentyl hydrogen sulfate?
The CAS number of 4-Methylpentyl hydrogen sulfate is 122842-70-0.
What is the molecular formula of 4-Methylpentyl hydrogen sulfate?
The molecular formula of 4-Methylpentyl hydrogen sulfate is C6H14O4S.
What is the molecular weight of 4-Methylpentyl hydrogen sulfate?
The molecular weight of 4-Methylpentyl hydrogen sulfate is 182.06128 g/mol.
Where can I buy 4-Methylpentyl hydrogen sulfate?
You can request a quote for 4-Methylpentyl hydrogen sulfate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylpentyl hydrogen sulfate?
Yes, CoreyChem provides custom synthesis services for 4-Methylpentyl hydrogen sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.