4-Ethynyl-1,2-dimethoxybenzene
TL;DR: 4-Ethynyl-1,2-dimethoxybenzene (CAS 4302-52-7) is a chemical compound with molecular formula C10H10O2 and molecular weight 162.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethynyl-1,2-dimethoxybenzene
Also Known As: 3,4-dimethoxyphenylacetylene, 4-ethynyl-1,2-dimethoxybenzene, 3',4'-Dimethoxyphenyl acetylene, 1-ethynyl-3,4-dimethoxybenzene, 1,2-Dimethoxy-4-ethynylbenzene
| Molecular Formula | C10H10O2 |
|---|---|
| Molecular Weight | 162.07 g/mol |
| LogP | 1.6851 |
| Topological Polar Surface Area | 18.46 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.06808 |
| Heavy Atoms | 12 |
| Complexity | 310.1049 |
Chemical Identifiers
| CAS Number | 4302-52-7 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C#C)OC |
Product Overview
4-Ethynyl-1,2-dimethoxybenzene (CAS 4302-52-7), with molecular formula C10H10O2 and molecular weight 162.07 g/mol. IUPAC: 4-ethynyl-1,2-dimethoxybenzene.
Chemical Property Profile of 4-Ethynyl-1,2-dimethoxybenzene
Property Insights of 4-Ethynyl-1,2-dimethoxybenzene
The XLogP value of 1.6851 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethynyl-1,2-dimethoxybenzene. With a topological polar surface area (TPSA) of 18.46 Ų, 4-Ethynyl-1,2-dimethoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Ethynyl-1,2-dimethoxybenzene has 0 hydrogen bond donor(s) and 2 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 4-Ethynyl-1,2-dimethoxybenzene?
The CAS number of 4-Ethynyl-1,2-dimethoxybenzene is 4302-52-7.
What is the molecular formula of 4-Ethynyl-1,2-dimethoxybenzene?
The molecular formula of 4-Ethynyl-1,2-dimethoxybenzene is C10H10O2.
What is the molecular weight of 4-Ethynyl-1,2-dimethoxybenzene?
The molecular weight of 4-Ethynyl-1,2-dimethoxybenzene is 162.07 g/mol.
Where can I buy 4-Ethynyl-1,2-dimethoxybenzene?
You can request a quote for 4-Ethynyl-1,2-dimethoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethynyl-1,2-dimethoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethynyl-1,2-dimethoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.