1-Phenyl-5-heptene-1,3-diyne
TL;DR: 1-Phenyl-5-heptene-1,3-diyne (CAS 136780-20-6) is a chemical compound with molecular formula C13H10 and molecular weight 166.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(E)-hept-5-en-1,3-diynyl]benzene
Also Known As: 1-Phenyl-5-heptene-1,3-diyne, 5-Heptene-1,3-diynylbenzene, [(E)-hept-5-en-1,3-diynyl]benzene, Benzene, 5-heptene-1,3-diynyl-, 1-Phenylhepta-1,3-diyn-5-ene
Technical Specifications
| Molecular Formula | C13H10 |
| Molecular Weight | 166.07825 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07825 Da |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
| SMILES | C/C=C/C#CC#CC1=CC=CC=C1 |
| InChIKey | OQOPFMDMSRLRRH-NSCUHMNNSA-N |
Chemical Property Profile of 1-Phenyl-5-heptene-1,3-diyne
Property Insights of 1-Phenyl-5-heptene-1,3-diyne
The XLogP value of 3.7 indicates that 1-Phenyl-5-heptene-1,3-diyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Phenyl-5-heptene-1,3-diyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenyl-5-heptene-1,3-diyne has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-Phenyl-5-heptene-1,3-diyne?
The CAS number of 1-Phenyl-5-heptene-1,3-diyne is 136780-20-6.
What is the molecular formula of 1-Phenyl-5-heptene-1,3-diyne?
The molecular formula of 1-Phenyl-5-heptene-1,3-diyne is C13H10.
What is the molecular weight of 1-Phenyl-5-heptene-1,3-diyne?
The molecular weight of 1-Phenyl-5-heptene-1,3-diyne is 166.07825 g/mol.
Where can I buy 1-Phenyl-5-heptene-1,3-diyne?
You can request a quote for 1-Phenyl-5-heptene-1,3-diyne directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-Phenyl-5-heptene-1,3-diyne?
Yes, CoreyChem provides custom synthesis services for 1-Phenyl-5-heptene-1,3-diyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.