1,4-Pentadiynylbenzene
TL;DR: 1,4-Pentadiynylbenzene (CAS 6088-96-6) is a chemical compound with molecular formula C11H8 and molecular weight 140.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
penta-1,4-diynylbenzene
Also Known As: 1,4-pentadiynylbenzene, penta-1,4-diynylbenzene, (Penta-1,4-diyn-1-yl)benzene, penta-1,4-diynyl-benzene, 1-Phenyl-1,4-pentadiyne
| Molecular Formula | C11H8 |
|---|---|
| Molecular Weight | 140.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 140.0626 |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 6088-96-6 |
|---|---|
| SMILES | C#CCC#CC1=CC=CC=C1 |
| InChIKey | QPCKXALBLLVOLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Pentadiynylbenzene (CAS 6088-96-6), with molecular formula C11H8 and molecular weight 140.06 g/mol. IUPAC: penta-1,4-diynylbenzene.
Chemical Property Profile of 1,4-Pentadiynylbenzene
Property Insights of 1,4-Pentadiynylbenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Pentadiynylbenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Pentadiynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Pentadiynylbenzene 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 1,4-Pentadiynylbenzene?
The CAS number of 1,4-Pentadiynylbenzene is 6088-96-6.
What is the molecular formula of 1,4-Pentadiynylbenzene?
The molecular formula of 1,4-Pentadiynylbenzene is C11H8.
What is the molecular weight of 1,4-Pentadiynylbenzene?
The molecular weight of 1,4-Pentadiynylbenzene is 140.06 g/mol.
Where can I buy 1,4-Pentadiynylbenzene?
You can request a quote for 1,4-Pentadiynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Pentadiynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Pentadiynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.