Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-
TL;DR: Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- (CAS 33243-75-3) is a chemical compound with molecular formula C7H9Cl3O2 and molecular weight 229.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloro-1-(2-methylbut-3-yn-2-yloxy)ethanol
Also Known As: Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-, 2,2,2-trichloro-1-(2-methylbut-3-yn-2-yloxy)ethanol, 4-01-00-03144 (Beilstein Handbook Reference), (2,2,2-Trichloro-1-(1,1-dimethyl-(2-propyne-1-oxy))ethanol), RefChem:1084430
| Molecular Formula | C7H9Cl3O2 |
|---|---|
| Molecular Weight | 229.97 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.96681 |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 33243-75-3 |
|---|---|
| SMILES | CC(C)(C#C)OC(C(Cl)(Cl)Cl)O |
| InChIKey | RNKGVZHCPIRTEZ-UHFFFAOYSA-N |
Product Overview
Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- (CAS 33243-75-3), with molecular formula C7H9Cl3O2 and molecular weight 229.97 g/mol. IUPAC: 2,2,2-trichloro-1-(2-methylbut-3-yn-2-yloxy)ethanol.
Chemical Property Profile of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-
Property Insights of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-. With a topological polar surface area (TPSA) of 29.5 Ų, Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- 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 Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-?
The CAS number of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- is 33243-75-3.
What is the molecular formula of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-?
The molecular formula of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- is C7H9Cl3O2.
What is the molecular weight of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-?
The molecular weight of Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- is 229.97 g/mol.
Where can I buy Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-?
You can request a quote for Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro-?
Yes, KEHONG BIO provides custom synthesis services for Ethanol, 1-(1,1-dimethyl-2-propynyloxy)-2,2,2-trichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.