TL;DR: guaifenesin beta-isomer (CAS 14007-09-1) is a chemical compound with molecular formula C10H14O4 and molecular weight 198.0892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-methoxyphenoxy)propane-1,3-diol
Also Known As: 2-(2-methoxyphenoxy)propane-1,3-diol, Guaifenesin EP Impurity B, Guaifenesin Impurity B, Guaifenesin beta-isomer, starbld0045810
| Molecular Formula | C10H14O4 |
| Molecular Weight | 198.0892 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 198.0892 Da |
| Heavy Atoms | 14 |
| Complexity | 147.0 |
| SMILES | COC1=CC=CC=C1OC(CO)CO |
| InChIKey | DTADPBLDQSWASV-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for guaifenesin beta-isomer. With a topological polar surface area (TPSA) of 58.9 Ų, guaifenesin beta-isomer exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, guaifenesin beta-isomer 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 guaifenesin beta-isomer is 14007-09-1.
The molecular formula of guaifenesin beta-isomer is C10H14O4.
The molecular weight of guaifenesin beta-isomer is 198.0892 g/mol.
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