1-Ethynyl-3-methoxybenzene
TL;DR: 1-Ethynyl-3-methoxybenzene (CAS 768-70-7) is a chemical compound with molecular formula C9H8O and molecular weight 132.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-3-methoxybenzene
Also Known As: 3-Ethynylanisole, 1-ethynyl-3-methoxybenzene, 3-Methoxyphenylacetylene, Diapamide, m-anisylacetylene
| Molecular Formula | C9H8O |
|---|---|
| Molecular Weight | 132.06 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 132.05751 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 768-70-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C#C |
| InChIKey | ZASXCTCNZKFDTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Ethynyl-3-methoxybenzene (CAS 768-70-7), with molecular formula C9H8O and molecular weight 132.06 g/mol. IUPAC: 1-ethynyl-3-methoxybenzene.
Chemical Property Profile of 1-Ethynyl-3-methoxybenzene
Property Insights of 1-Ethynyl-3-methoxybenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Ethynyl-3-methoxybenzene. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Ethynyl-3-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-3-methoxybenzene has 0 hydrogen bond donor(s) and 1 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-3-methoxybenzene?
The CAS number of 1-Ethynyl-3-methoxybenzene is 768-70-7.
What is the molecular formula of 1-Ethynyl-3-methoxybenzene?
The molecular formula of 1-Ethynyl-3-methoxybenzene is C9H8O.
What is the molecular weight of 1-Ethynyl-3-methoxybenzene?
The molecular weight of 1-Ethynyl-3-methoxybenzene is 132.06 g/mol.
Where can I buy 1-Ethynyl-3-methoxybenzene?
You can request a quote for 1-Ethynyl-3-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-3-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-3-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.