7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid
TL;DR: 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid (CAS 104693-32-5) is a chemical compound with molecular formula C19H26O4 and molecular weight 318.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid
Also Known As: 7-Ddpdha, Sulfoxide dopamine, 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid, (Z)-7-[(4S,5R)-2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl]hept-5-enoic acid, 7-(2,2-dimethyl-4-phenyl-1,3-dioxan-5-yl)hept-2-enoic acid
Technical Specifications
| Molecular Formula | C19H26O4 |
| Molecular Weight | 318.1831 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.1831 Da |
| Heavy Atoms | 23 |
| Complexity | 396.0 |
| SMILES | CC1(OC[C@H]([C@H](O1)C2=CC=CC=C2)C/C=C\CCCC(=O)O)C |
| InChIKey | NCTKBYPUWBMEBQ-CDITXYPMSA-N |
Chemical Property Profile of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid
Property Insights of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid
The XLogP value of 3.3 indicates that 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid?
The CAS number of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid is 104693-32-5.
What is the molecular formula of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid?
The molecular formula of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid is C19H26O4.
What is the molecular weight of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid?
The molecular weight of 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid is 318.1831 g/mol.
Where can I buy 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid?
You can request a quote for 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid?
Yes, CoreyChem provides custom synthesis services for 7-(2,2-Dimethyl-4-phenyl-1,3-dioxan-5-yl)heptenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.