2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol
TL;DR: 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol (CAS 33243-76-4) is a chemical compound with molecular formula C8H11Cl3O2 and molecular weight 243.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(3-methylpent-1-yn-3-yloxy)ethanol
Also Known As: 4-01-00-03144 (Beilstein Handbook Reference), 2,2,2-trichloro-1-(3-methylpent-1-yn-3-yloxy)ethanol, ETHANOL, 1-(1-ETHYL-1-METHYL-2-PROPYNYLOXY)-2,2,2-TRICHLORO-, (2,2,2-Trichloro-1-(1-ethyl-1-methyl-(2-propyne-1-oxy))ethanol), 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol
| Molecular Formula | C8H11Cl3O2 |
|---|---|
| Molecular Weight | 243.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.98247 |
| Heavy Atoms | 13 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 33243-76-4 |
|---|---|
| SMILES | CCC(C)(C#C)OC(C(Cl)(Cl)Cl)O |
| InChIKey | JNEIKGVABVJVOP-UHFFFAOYSA-N |
Product Overview
2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol (CAS 33243-76-4), with molecular formula C8H11Cl3O2 and molecular weight 243.98 g/mol. IUPAC: 2,2,2-trichloro-1-(3-methylpent-1-yn-3-yloxy)ethanol.
Chemical Property Profile of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol
Property Insights of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol. With a topological polar surface area (TPSA) of 29.5 Ų, 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol has 1 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 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol?
The CAS number of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol is 33243-76-4.
What is the molecular formula of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol?
The molecular formula of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol is C8H11Cl3O2.
What is the molecular weight of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol?
The molecular weight of 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol is 243.98 g/mol.
Where can I buy 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol?
You can request a quote for 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-Trichloro-1-((3-methylpent-1-yn-3-yl)oxy)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.