1-Eth-1-ynyl-4-(pentyloxy)benzene
TL;DR: 1-Eth-1-ynyl-4-(pentyloxy)benzene (CAS 79887-16-4) is a chemical compound with molecular formula C13H16O and molecular weight 188.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-4-pentoxybenzene
Also Known As: 1-eth-1-ynyl-4-(pentyloxy)benzene, 1-ethynyl-4-(pentyloxy)benzene, 1-ethynyl-4-pentoxybenzene, 4-n-Pentyloxyphenylacetylene, P-Ethynyl(pentyloxy)benzene
| Molecular Formula | C13H16O |
|---|---|
| Molecular Weight | 188.12 g/mol |
| LogP | 3.2369 |
| Topological Polar Surface Area | 9.23 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.12012 |
| Heavy Atoms | 14 |
| Complexity | 292.00674 |
Chemical Identifiers
| CAS Number | 79887-16-4 |
|---|---|
| SMILES | CCCCCOC1=CC=C(C=C1)C#C |
Product Overview
1-Eth-1-ynyl-4-(pentyloxy)benzene (CAS 79887-16-4), with molecular formula C13H16O and molecular weight 188.12 g/mol. IUPAC: 1-ethynyl-4-pentoxybenzene.
Chemical Property Profile of 1-Eth-1-ynyl-4-(pentyloxy)benzene
Property Insights of 1-Eth-1-ynyl-4-(pentyloxy)benzene
The XLogP value of 3.2369 indicates that 1-Eth-1-ynyl-4-(pentyloxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.23 Ų, 1-Eth-1-ynyl-4-(pentyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Eth-1-ynyl-4-(pentyloxy)benzene 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-Eth-1-ynyl-4-(pentyloxy)benzene?
The CAS number of 1-Eth-1-ynyl-4-(pentyloxy)benzene is 79887-16-4.
What is the molecular formula of 1-Eth-1-ynyl-4-(pentyloxy)benzene?
The molecular formula of 1-Eth-1-ynyl-4-(pentyloxy)benzene is C13H16O.
What is the molecular weight of 1-Eth-1-ynyl-4-(pentyloxy)benzene?
The molecular weight of 1-Eth-1-ynyl-4-(pentyloxy)benzene is 188.12 g/mol.
Where can I buy 1-Eth-1-ynyl-4-(pentyloxy)benzene?
You can request a quote for 1-Eth-1-ynyl-4-(pentyloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Eth-1-ynyl-4-(pentyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Eth-1-ynyl-4-(pentyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.