TL;DR: Azulene, 1-methyl-5-(1-methylethyl)- (CAS 113540-51-5) is a chemical compound with molecular formula C14H16 and molecular weight 184.1252 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-5-propan-2-ylazulene
Also Known As: 5-isopropyl-1-methyl-azulene, Azulene, 1-methyl-5-(1-methylethyl)-, 1-methyl-5-propan-2-ylazulene, 1-methyl-5-propan-2-yl-azulene, 1-Methyl-5-(propan-2-yl)azulene
| Molecular Formula | C14H16 |
| Molecular Weight | 184.1252 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 184.1252 Da |
| Heavy Atoms | 14 |
| Complexity | 182.0 |
| SMILES | CC1=CC=C2C1=CC=CC(=C2)C(C)C |
| InChIKey | WMTFUXVIGMHHKL-UHFFFAOYSA-N |
The XLogP value of 4.4 indicates that Azulene, 1-methyl-5-(1-methylethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Azulene, 1-methyl-5-(1-methylethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Azulene, 1-methyl-5-(1-methylethyl)- has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Azulene, 1-methyl-5-(1-methylethyl)- is 113540-51-5.
The molecular formula of Azulene, 1-methyl-5-(1-methylethyl)- is C14H16.
The molecular weight of Azulene, 1-methyl-5-(1-methylethyl)- is 184.1252 g/mol.
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