TL;DR: Culpin (CAS 125213-21-0) is a chemical compound with molecular formula C16H18O2 and molecular weight 242.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-methylbut-2-enyl)-5-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol
Also Known As: Culpin, 2-(3-methylbut-2-enyl)-5-(3-methylbut-3-en-1-ynyl)benzene-1,4-diol, 2-(3-Methyl-2-butenyl)-5-(3-methyl-3-buten-1-ynyl)-1,4-benzenediol, J2.657.749G, 2-(3-METHYLBUT-2-EN-1-YL)-5-(3-METHYLBUT-3-EN-1-YN-1-YL)BENZENE-1,4-DIOL
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H18O2 |
| Molecular Weight | 242.13068 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.13068 Da |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
| SMILES | CC(=CCC1=CC(=C(C=C1O)C#CC(=C)C)O)C |
| InChIKey | QMYWKFZKRYCUMA-UHFFFAOYSA-N |
The XLogP value of 4.9 indicates that Culpin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Culpin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Culpin 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 Culpin is 125213-21-0.
The molecular formula of Culpin is C16H18O2.
The molecular weight of Culpin is 242.13068 g/mol.
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