TL;DR: cis-1,2-Indandiol (CAS 4647-42-1) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2S)-2,3-dihydro-1H-indene-1,2-diol
Also Known As: cis-1,2-Indandiol, Cis-1,2-indane diol, indane-1,2-diol, 1,2-Indandiol, cis-, CIS-1,2-INDANEDIOL
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C9H10O2 |
| Molecular Weight | 150.06808 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 150.06808 Da |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
| SMILES | C1[C@@H]([C@@H](C2=CC=CC=C21)O)O |
| InChIKey | YKXXBEOXRPZVCC-DTWKUNHWSA-N |
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-1,2-Indandiol. With a topological polar surface area (TPSA) of 40.5 Ų, cis-1,2-Indandiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-1,2-Indandiol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of cis-1,2-Indandiol is 4647-42-1.
The molecular formula of cis-1,2-Indandiol is C9H10O2.
The molecular weight of cis-1,2-Indandiol is 150.06808 g/mol.
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