5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione
TL;DR: 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione (CAS 74082-20-5) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-but-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione
Also Known As: 5-(but-3-en-1-yl)-4a,5,6,8a-tetrahydronaphthalene-1,4-dione, 5-(3-Butenyl)-4a,5,8,8a-tetrahydro-1,4-naphthoquinone, 5-but-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione, 1,4-Naphthalenedione, 5-(3-butenyl)-4a,5,8,8a-tetrahydro-, 1,4-Naphthalenedione, 5-(3-buten-1-yl)-4a,5,8,8a-tetrahydro-
Technical Specifications
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.11504 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.11504 Da |
| Heavy Atoms | 16 |
| Complexity | 376.0 |
| SMILES | C=CCCC1CC=CC2C1C(=O)C=CC2=O |
| InChIKey | GKTLDNHKMTUGQM-UHFFFAOYSA-N |
Chemical Property Profile of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione
Property Insights of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione?
The CAS number of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione is 74082-20-5.
What is the molecular formula of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione?
The molecular formula of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione is C14H16O2.
What is the molecular weight of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione?
The molecular weight of 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione is 216.11504 g/mol.
Where can I buy 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione?
You can request a quote for 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione?
Yes, CoreyChem provides custom synthesis services for 5-But-3-enyl-4a,5,6,8a-tetrahydronaphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.