Hexa-1,3-dien-5-ynylbenzene
TL;DR: Hexa-1,3-dien-5-ynylbenzene (CAS 16124-58-6) is a chemical compound with molecular formula C#CC=CC=CC1=CC=CC=C1 and molecular weight 154.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-1,3-dien-5-ynylbenzene
Also Known As: 1-Phenyl-1,3-hexadien-5-yne
| Molecular Formula | C#CC=CC=CC1=CC=CC=C1 |
|---|---|
| Molecular Weight | 154.08 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.07825 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 16124-58-6 |
|---|---|
| SMILES | C#CC=CC=CC1=CC=CC=C1 |
| InChIKey | SEQZAYGOCMKLRP-UHFFFAOYSA-N |
Product Overview
Hexa-1,3-dien-5-ynylbenzene (CAS 16124-58-6), with molecular formula C#CC=CC=CC1=CC=CC=C1 and molecular weight 154.08 g/mol. IUPAC: hexa-1,3-dien-5-ynylbenzene.
Chemical Property Profile of Hexa-1,3-dien-5-ynylbenzene
Property Insights of Hexa-1,3-dien-5-ynylbenzene
The XLogP value of 3.5 indicates that Hexa-1,3-dien-5-ynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Hexa-1,3-dien-5-ynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexa-1,3-dien-5-ynylbenzene 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 Hexa-1,3-dien-5-ynylbenzene?
The CAS number of Hexa-1,3-dien-5-ynylbenzene is 16124-58-6.
What is the molecular formula of Hexa-1,3-dien-5-ynylbenzene?
The molecular formula of Hexa-1,3-dien-5-ynylbenzene is C#CC=CC=CC1=CC=CC=C1.
What is the molecular weight of Hexa-1,3-dien-5-ynylbenzene?
The molecular weight of Hexa-1,3-dien-5-ynylbenzene is 154.08 g/mol.
Where can I buy Hexa-1,3-dien-5-ynylbenzene?
You can request a quote for Hexa-1,3-dien-5-ynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexa-1,3-dien-5-ynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for Hexa-1,3-dien-5-ynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.