1-Ethynyl-4-(undecyloxy)benzene
TL;DR: 1-Ethynyl-4-(undecyloxy)benzene (CAS 125151-62-4) is a chemical compound with molecular formula C19H28O and molecular weight 272.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethynyl-4-undecoxybenzene
Also Known As: 1-decoxy-4-ethynylbenzene, 1-ethynyl-4-undecoxybenzene, 1-ethynyl-4-(undecyloxy)benzene, benzene, 1-ethynyl-4-(undecyloxy)-, InChI=1/C19H28O/c1-3-5-6-7-8-9-10-11-12-17-20-19-15-13-18(4-2)14-16-19/h2,13-16H,3,5-12,17H2,1H
| Molecular Formula | C19H28O |
|---|---|
| Molecular Weight | 272.21 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 12 |
| Exact Mass | 272.21402 |
| Heavy Atoms | 20 |
| Complexity | 254.0 |
Chemical Identifiers
| CAS Number | 125151-62-4 |
|---|---|
| SMILES | CCCCCCCCCCCOC1=CC=C(C=C1)C#C |
| InChIKey | SGRLPZDUWKIQGR-UHFFFAOYSA-N |
Product Overview
1-Ethynyl-4-(undecyloxy)benzene (CAS 125151-62-4), with molecular formula C19H28O and molecular weight 272.21 g/mol. IUPAC: 1-ethynyl-4-undecoxybenzene.
Chemical Property Profile of 1-Ethynyl-4-(undecyloxy)benzene
Property Insights of 1-Ethynyl-4-(undecyloxy)benzene
The XLogP value of 7.3 indicates that 1-Ethynyl-4-(undecyloxy)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Ethynyl-4-(undecyloxy)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Ethynyl-4-(undecyloxy)benzene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Ethynyl-4-(undecyloxy)benzene?
The CAS number of 1-Ethynyl-4-(undecyloxy)benzene is 125151-62-4.
What is the molecular formula of 1-Ethynyl-4-(undecyloxy)benzene?
The molecular formula of 1-Ethynyl-4-(undecyloxy)benzene is C19H28O.
What is the molecular weight of 1-Ethynyl-4-(undecyloxy)benzene?
The molecular weight of 1-Ethynyl-4-(undecyloxy)benzene is 272.21 g/mol.
Where can I buy 1-Ethynyl-4-(undecyloxy)benzene?
You can request a quote for 1-Ethynyl-4-(undecyloxy)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Ethynyl-4-(undecyloxy)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Ethynyl-4-(undecyloxy)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.