TL;DR: RefChem:219009 (CAS 73987-14-1) is a chemical compound with molecular formula C14H20O5S and molecular weight 300.10315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2,5-trimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
Also Known As: KST-1A8170, (2,2,5-trimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate, 2,2,4-Trimethyl-5-(p-tolylsulfonyloxy)methyl-DL-erythro-1,3-dioxolane, 1,3-Dioxolane-5-methanol, 2,2,4-trimethyl-, p-toluenesulfonate (ester), DL-erythro-, 1,3-Dioxolane-4-methanol, 2,2,5-trimethyl-, 4-methylbenzenesulfonate, cis-(+-)-
| Molecular Formula | C14H20O5S |
| Molecular Weight | 300.10315 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 70.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 300.10315 Da |
| Heavy Atoms | 20 |
| Complexity | 417.0 |
| SMILES | CC1C(OC(O1)(C)C)COS(=O)(=O)C2=CC=C(C=C2)C |
| InChIKey | URJNPCRTQLXDBY-UHFFFAOYSA-N |
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:219009. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:219009. Following Lipinski's Rule of Five, RefChem:219009 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of RefChem:219009 is 73987-14-1.
The molecular formula of RefChem:219009 is C14H20O5S.
The molecular weight of RefChem:219009 is 300.10315 g/mol.
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