![Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- structure](/static/products/6993/69939-72-6.webp)
Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-
TL;DR: Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- (CAS 69939-72-6) is a chemical compound with molecular formula C11H12O and molecular weight 160.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
but-3-yn-2-yloxymethylbenzene
Also Known As: UPCMLD00WJLM61, 3-(Benzyloxy)-1-butyne, but-3-yn-2-yloxymethylbenzene, {[(But-3-yn-2-yl)oxy]methyl}benzene, Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-
| Molecular Formula | C11H12O |
|---|---|
| Molecular Weight | 160.09 g/mol |
| LogP | 2.2249 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.08882 |
| Heavy Atoms | 12 |
| Complexity | 258.08264 |
Chemical Identifiers
| CAS Number | 69939-72-6 |
|---|---|
| SMILES | CC(C#C)OCC1=CC=CC=C1 |
Product Overview
Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- (CAS 69939-72-6), with molecular formula C11H12O and molecular weight 160.09 g/mol. IUPAC: but-3-yn-2-yloxymethylbenzene.
Chemical Property Profile of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-
Property Insights of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-
The XLogP value of 2.2249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-. With a topological polar surface area (TPSA) of 9.23 Ų, Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- 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 Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-?
The CAS number of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- is 69939-72-6.
What is the molecular formula of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-?
The molecular formula of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- is C11H12O.
What is the molecular weight of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-?
The molecular weight of Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- is 160.09 g/mol.
Where can I buy Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-?
You can request a quote for Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, [[(1-methyl-2-propynyl)oxy]methyl]-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, [[(1-methyl-2-propynyl)oxy]methyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.