1-(But-2-yn-1-yloxy)-4-methoxybenzene
TL;DR: 1-(But-2-yn-1-yloxy)-4-methoxybenzene (CAS 41580-74-9) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-but-2-ynoxy-4-methoxybenzene
Also Known As: 1-(but-2-yn-1-yloxy)-4-methoxybenzene, 4-(2-Butynyloxy)anisole, 1-but-2-ynoxy-4-methoxybenzene, NCIOpen2_001185, 1-(4-Methoxyphenoxy)-2-butyne
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 41580-74-9 |
|---|---|
| SMILES | CC#CCOC1=CC=C(C=C1)OC |
| InChIKey | AWQWHUMJCNNIHE-UHFFFAOYSA-N |
Product Overview
1-(But-2-yn-1-yloxy)-4-methoxybenzene (CAS 41580-74-9), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: 1-but-2-ynoxy-4-methoxybenzene.
Chemical Property Profile of 1-(But-2-yn-1-yloxy)-4-methoxybenzene
Property Insights of 1-(But-2-yn-1-yloxy)-4-methoxybenzene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(But-2-yn-1-yloxy)-4-methoxybenzene. With a topological polar surface area (TPSA) of 18.5 Ų, 1-(But-2-yn-1-yloxy)-4-methoxybenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(But-2-yn-1-yloxy)-4-methoxybenzene 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 1-(But-2-yn-1-yloxy)-4-methoxybenzene?
The CAS number of 1-(But-2-yn-1-yloxy)-4-methoxybenzene is 41580-74-9.
What is the molecular formula of 1-(But-2-yn-1-yloxy)-4-methoxybenzene?
The molecular formula of 1-(But-2-yn-1-yloxy)-4-methoxybenzene is C11H12O2.
What is the molecular weight of 1-(But-2-yn-1-yloxy)-4-methoxybenzene?
The molecular weight of 1-(But-2-yn-1-yloxy)-4-methoxybenzene is 176.08 g/mol.
Where can I buy 1-(But-2-yn-1-yloxy)-4-methoxybenzene?
You can request a quote for 1-(But-2-yn-1-yloxy)-4-methoxybenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(But-2-yn-1-yloxy)-4-methoxybenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-(But-2-yn-1-yloxy)-4-methoxybenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.