1-Butoxy-4-ethynylbenzene
TL;DR: 1-Butoxy-4-ethynylbenzene (CAS 79887-15-3) is a chemical compound with molecular formula C12H14O and molecular weight 174.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butoxy-4-ethynylbenzene
Also Known As: 1-butoxy-4-ethynylbenzene, 4-Butoxyphenylacetylene, Benzene,1-butoxy-4-ethynyl-, 1-BUTOXY-4-ETH-1-YNYLBENZENE, 4-n-Butoxyphenylacetylene
| Molecular Formula | C12H14O |
|---|---|
| Molecular Weight | 174.10 g/mol |
| LogP | 2.8468 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 174.10446 |
| Heavy Atoms | 13 |
| Complexity | 278.98795 |
Chemical Identifiers
| CAS Number | 79887-15-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C#C |
Product Overview
1-Butoxy-4-ethynylbenzene (CAS 79887-15-3), with molecular formula C12H14O and molecular weight 174.10 g/mol. IUPAC: 1-butoxy-4-ethynylbenzene.
Chemical Property Profile of 1-Butoxy-4-ethynylbenzene
Property Insights of 1-Butoxy-4-ethynylbenzene
The XLogP value of 2.8468 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butoxy-4-ethynylbenzene. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Butoxy-4-ethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butoxy-4-ethynylbenzene 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-Butoxy-4-ethynylbenzene?
The CAS number of 1-Butoxy-4-ethynylbenzene is 79887-15-3.
What is the molecular formula of 1-Butoxy-4-ethynylbenzene?
The molecular formula of 1-Butoxy-4-ethynylbenzene is C12H14O.
What is the molecular weight of 1-Butoxy-4-ethynylbenzene?
The molecular weight of 1-Butoxy-4-ethynylbenzene is 174.10 g/mol.
Where can I buy 1-Butoxy-4-ethynylbenzene?
You can request a quote for 1-Butoxy-4-ethynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butoxy-4-ethynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Butoxy-4-ethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.