5-Heptene-1,3-diyn-1-ylbenzene
TL;DR: 5-Heptene-1,3-diyn-1-ylbenzene (CAS 13678-98-3) is a chemical compound with molecular formula C13H10 and molecular weight 166.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hept-5-en-1,3-diynylbenzene
Also Known As: hept-5-en-1,3-diynylbenzene, 1-phenylhept-5-ene-1,3-diyne, 5-Heptene-1,3-diyn-1-ylbenzene, Benzene,5-heptene-1,3-diyn-1-yl-, (Hept-5-ene-1,3-diyn-1-yl)benzene
| Molecular Formula | C13H10 |
|---|---|
| Molecular Weight | 166.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.07825 |
| Heavy Atoms | 13 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 13678-98-3 |
|---|---|
| SMILES | CC=CC#CC#CC1=CC=CC=C1 |
| InChIKey | OQOPFMDMSRLRRH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Heptene-1,3-diyn-1-ylbenzene (CAS 13678-98-3), with molecular formula C13H10 and molecular weight 166.08 g/mol. IUPAC: hept-5-en-1,3-diynylbenzene.
Chemical Property Profile of 5-Heptene-1,3-diyn-1-ylbenzene
Property Insights of 5-Heptene-1,3-diyn-1-ylbenzene
The XLogP value of 3.7 indicates that 5-Heptene-1,3-diyn-1-ylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 5-Heptene-1,3-diyn-1-ylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Heptene-1,3-diyn-1-ylbenzene 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
Frequently Asked Questions
What is the CAS number of 5-Heptene-1,3-diyn-1-ylbenzene?
The CAS number of 5-Heptene-1,3-diyn-1-ylbenzene is 13678-98-3.
What is the molecular formula of 5-Heptene-1,3-diyn-1-ylbenzene?
The molecular formula of 5-Heptene-1,3-diyn-1-ylbenzene is C13H10.
What is the molecular weight of 5-Heptene-1,3-diyn-1-ylbenzene?
The molecular weight of 5-Heptene-1,3-diyn-1-ylbenzene is 166.08 g/mol.
Where can I buy 5-Heptene-1,3-diyn-1-ylbenzene?
You can request a quote for 5-Heptene-1,3-diyn-1-ylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Heptene-1,3-diyn-1-ylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 5-Heptene-1,3-diyn-1-ylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.