1-Ethynyl-2,4-dimethylbenzene
TL;DR: 1-Ethynyl-2,4-dimethylbenzene (CAS 16017-30-4) 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-ethynyl-2,4-dimethylbenzene
Also Known As: 1-ethynyl-2,4-dimethylbenzene, 1-ethynyl-2,4-dimethyl-benzene, alpha-Benzoinoxime, 2,4-Dimethylphenylacetylene, Benzene, 1-ethynyl-2,4-dimethyl-
| Molecular Formula | C10H10 |
|---|---|
| Molecular Weight | 130.08 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 | 130.07825 |
| Heavy Atoms | 10 |
| Complexity | 149.0 |
Chemical Identifiers
| CAS Number | 16017-30-4 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C#C)C |
| InChIKey | GMODJHLJRNXLMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethynyl-2,4-dimethylbenzene (CAS 16017-30-4), with molecular formula C10H10 and molecular weight 130.08 g/mol. IUPAC: 1-ethynyl-2,4-dimethylbenzene.
Chemical Property Profile of 1-Ethynyl-2,4-dimethylbenzene
Property Insights of 1-Ethynyl-2,4-dimethylbenzene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-2,4-dimethylbenzene. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Ethynyl-2,4-dimethylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-2,4-dimethylbenzene 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-Ethynyl-2,4-dimethylbenzene?
The CAS number of 1-Ethynyl-2,4-dimethylbenzene is 16017-30-4.
What is the molecular formula of 1-Ethynyl-2,4-dimethylbenzene?
The molecular formula of 1-Ethynyl-2,4-dimethylbenzene is C10H10.
What is the molecular weight of 1-Ethynyl-2,4-dimethylbenzene?
The molecular weight of 1-Ethynyl-2,4-dimethylbenzene is 130.08 g/mol.
Where can I buy 1-Ethynyl-2,4-dimethylbenzene?
You can request a quote for 1-Ethynyl-2,4-dimethylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-2,4-dimethylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-2,4-dimethylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.