Benzene, 1,3-diethynyl-
TL;DR: Benzene, 1,3-diethynyl- (CAS 1785-61-1) 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.
1,3-diethynylbenzene
Also Known As: 1,3-Diethynylbenzene, M-DIETHYNYLBENZENE, Benzene, 1,3-diethynyl-, m-Phenylenediacetylene, 1,3-diethynylenebenzene
| Molecular Formula | C10H6 |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | 2.8 |
| 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 | 173.0 |
Chemical Identifiers
| CAS Number | 1785-61-1 |
|---|---|
| SMILES | C#CC1=CC(=CC=C1)C#C |
| InChIKey | PNXLPYYXCOXPBM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzene, 1,3-diethynyl- (CAS 1785-61-1), with molecular formula C10H6 and molecular weight 126.05 g/mol. IUPAC: 1,3-diethynylbenzene.
Chemical Property Profile of Benzene, 1,3-diethynyl-
Property Insights of Benzene, 1,3-diethynyl-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1,3-diethynyl-. With a topological polar surface area (TPSA) of 0.0 Ų, Benzene, 1,3-diethynyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1,3-diethynyl- 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 Benzene, 1,3-diethynyl-?
The CAS number of Benzene, 1,3-diethynyl- is 1785-61-1.
What is the molecular formula of Benzene, 1,3-diethynyl-?
The molecular formula of Benzene, 1,3-diethynyl- is C10H6.
What is the molecular weight of Benzene, 1,3-diethynyl-?
The molecular weight of Benzene, 1,3-diethynyl- is 126.05 g/mol.
Where can I buy Benzene, 1,3-diethynyl-?
You can request a quote for Benzene, 1,3-diethynyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1,3-diethynyl-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1,3-diethynyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.