TL;DR: 2-Butyne-1,4-diol, 1,4-bis(2-furyl)- (CAS 151232-03-0) is a chemical compound with molecular formula C12H10O4 and molecular weight 218.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,4-bis(furan-2-yl)but-2-yne-1,4-diol
Also Known As: 1,4-Di(2-furyl)-2-butyne-1,4-diol, 1,4-di(2-furyl)but-2-yne-1,4-diol, 1,4-di-[2]furyl-but-2-yne-1,4-diol, 1,4-Di(2-furyl)-2-butyne-1,4-diol #, 1,4-bis(furan-2-yl)but-2-yne-1,4-diol
| Molecular Formula | C12H10O4 |
| Molecular Weight | 218.0579 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 66.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0579 Da |
| Heavy Atoms | 16 |
| Complexity | 264.0 |
| SMILES | C1=COC(=C1)C(C#CC(C2=CC=CO2)O)O |
| InChIKey | MYQSDSIEYSPFJW-UHFFFAOYSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Butyne-1,4-diol, 1,4-bis(2-furyl)-. The TPSA of 66.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyne-1,4-diol, 1,4-bis(2-furyl)-. Following Lipinski's Rule of Five, 2-Butyne-1,4-diol, 1,4-bis(2-furyl)- 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 2-Butyne-1,4-diol, 1,4-bis(2-furyl)- is 151232-03-0.
The molecular formula of 2-Butyne-1,4-diol, 1,4-bis(2-furyl)- is C12H10O4.
The molecular weight of 2-Butyne-1,4-diol, 1,4-bis(2-furyl)- is 218.0579 g/mol.
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