TL;DR: Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)- (CAS 147921-90-2) is a chemical compound with molecular formula C10H10O4 and molecular weight 194.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[3-[4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol
Also Known As: Repandiol, 2,3,8,9-Diepoxy-4,6-decadiyne-1,10-diol, J2.373.009J, [3-[4-[3-(hydroxymethyl)oxiran-2-yl]buta-1,3-diynyl]oxiran-2-yl]methanol, 2,3:8,9-Diepoxy-4,6-decadiyne-1,10-diol
| Molecular Formula | C10H10O4 |
| Molecular Weight | 194.0579 g/mol |
| XLogP | -1.2 |
| Topological Polar Surface Area (TPSA) | 65.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 194.0579 Da |
| Heavy Atoms | 14 |
| Complexity | 313.0 |
| Melting Point | 168 - 169 °C |
| SMILES | C(C1C(O1)C#CC#CC2C(O2)CO)O |
| InChIKey | BQWDCZPSFPXRCB-UHFFFAOYSA-N |
The XLogP value of -1.2 indicates that Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)-. Following Lipinski's Rule of Five, Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)- has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)- is 147921-90-2.
The molecular formula of Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)- is C10H10O4.
The molecular weight of Oxiranemethanol, 3,3'-(1,3-butadiyne-1,4-diyl)bis-, (2R,2'R,3R,3'R)- is 194.0579 g/mol.
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