1,4-二乙炔基苯
TL;DR: 1,4-二乙炔基苯 (CAS 935-14-8) is a chemical compound with molecular formula C10H6 and molecular weight 126.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-二乙炔基苯
1,4-diethynylbenzene
Also Known As: 1,4-Diethynylbenzene, p-Diethynylbenzene, Diethynylbenzene, Benzene, 1,4-diethynyl-, 1,4-Diethynyl-benzene
| Molecular Formula | C10H6 |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 126.04695 |
| Heavy Atoms | 10 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 935-14-8 |
|---|---|
| SMILES | C#CC1=CC=C(C=C1)C#C |
| InChIKey | MVLGANVFCMOJHR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-二乙炔基苯 (CAS 935-14-8), with molecular formula C10H6 and molecular weight 126.05 g/mol. IUPAC: 1,4-diethynylbenzene.
Chemical Property Profile of 1,4-二乙炔基苯
Property Insights of 1,4-二乙炔基苯
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-二乙炔基苯. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-二乙炔基苯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-二乙炔基苯 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 1,4-二乙炔基苯?
The CAS number of 1,4-二乙炔基苯 is 935-14-8.
What is the molecular formula of 1,4-二乙炔基苯?
The molecular formula of 1,4-二乙炔基苯 is C10H6.
What is the molecular weight of 1,4-二乙炔基苯?
The molecular weight of 1,4-二乙炔基苯 is 126.05 g/mol.
Where can I buy 1,4-二乙炔基苯?
You can request a quote for 1,4-二乙炔基苯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-二乙炔基苯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-二乙炔基苯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.