TL;DR: 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate (CAS 128139-38-8) is a chemical compound with molecular formula C10H18O7S and molecular weight 282.07733 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(acetyloxymethyl)-4-methylsulfonyloxybutyl] acetate
Also Known As: J2.321.213G, [2-(acetyloxymethyl)-4-methylsulfonyloxy-butyl] Acetate, Diacetic acid 2-[2-(methylsulfonyloxy)ethyl]-1,3-propanediyl ester, 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate, 2-[(ACETYLOXY)METHYL]-4-(METHANESULFONYLOXY)BUTYL ACETATE
| Molecular Formula | C10H18O7S |
| Molecular Weight | 282.07733 g/mol |
| XLogP | 0.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 282.07733 Da |
| Heavy Atoms | 18 |
| Complexity | 350.0 |
| SMILES | CC(=O)OCC(CCOS(=O)(=O)C)COC(=O)C |
| InChIKey | JVCXNJMGKANFHZ-UHFFFAOYSA-N |
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate. Following Lipinski's Rule of Five, 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate is 128139-38-8.
The molecular formula of 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate is C10H18O7S.
The molecular weight of 2-[(Acetyloxy)methyl]-4-[(methanesulfonyl)oxy]butyl acetate is 282.07733 g/mol.
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