1-Ethyl-4-ethynylbenzene
TL;DR: 1-Ethyl-4-ethynylbenzene (CAS 40307-11-7) is a chemical compound with molecular formula C10H10 and molecular weight 130.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethyl-4-ethynylbenzene
Also Known As: 1-ethyl-4-ethynylbenzene, 4-Ethylphenylacetylene, null, Benzene, 1-ethyl-4-ethynyl-, 4-Ethylphenylethyne
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 40307-11-7 |
|---|---|
| SMILES | CCC1=CC=C(C=C1)C#C |
| InChIKey | ZNTJVJSUNSUMPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethyl-4-ethynylbenzene (CAS 40307-11-7), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: 1-ethyl-4-ethynylbenzene.
Chemical Property Profile of 1-Ethyl-4-ethynylbenzene
Property Insights of 1-Ethyl-4-ethynylbenzene
The XLogP value of 3.0 indicates that 1-Ethyl-4-ethynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethyl-4-ethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethyl-4-ethynylbenzene 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-Ethyl-4-ethynylbenzene?
The CAS number of 1-Ethyl-4-ethynylbenzene is 40307-11-7.
What is the molecular formula of 1-Ethyl-4-ethynylbenzene?
The molecular formula of 1-Ethyl-4-ethynylbenzene is C10H10.
What is the molecular weight of 1-Ethyl-4-ethynylbenzene?
The molecular weight of 1-Ethyl-4-ethynylbenzene is 130.08 g/mol.
Where can I buy 1-Ethyl-4-ethynylbenzene?
You can request a quote for 1-Ethyl-4-ethynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethyl-4-ethynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethyl-4-ethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.