1,1,1-Trichlorooct-3-yn-2-ol
TL;DR: 1,1,1-Trichlorooct-3-yn-2-ol (CAS 57212-17-6) is a chemical compound with molecular formula C8H11Cl3O and molecular weight 227.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trichlorooct-3-yn-2-ol
Also Known As: 1,1,1-trichlorooct-3-yn-2-ol, 1,1,1-Trichloro-2-octyn-2-ol, 2-Octyn-2-ol, 1,1,1-trichloro-, 8,8,8-Trichloro-5-octyne-7-ol, J2.064.536I
| Molecular Formula | C8H11Cl3O |
|---|---|
| Molecular Weight | 227.99 g/mol |
| LogP | 2.9111 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.98755 |
| Heavy Atoms | 12 |
| Complexity | 174.96756 |
Chemical Identifiers
| CAS Number | 57212-17-6 |
|---|---|
| SMILES | CCCCC#CC(C(Cl)(Cl)Cl)O |
Product Overview
1,1,1-Trichlorooct-3-yn-2-ol (CAS 57212-17-6), with molecular formula C8H11Cl3O and molecular weight 227.99 g/mol. IUPAC: 1,1,1-trichlorooct-3-yn-2-ol.
Chemical Property Profile of 1,1,1-Trichlorooct-3-yn-2-ol
Property Insights of 1,1,1-Trichlorooct-3-yn-2-ol
The XLogP value of 2.9111 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trichlorooct-3-yn-2-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 1,1,1-Trichlorooct-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trichlorooct-3-yn-2-ol has 1 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 1,1,1-Trichlorooct-3-yn-2-ol?
The CAS number of 1,1,1-Trichlorooct-3-yn-2-ol is 57212-17-6.
What is the molecular formula of 1,1,1-Trichlorooct-3-yn-2-ol?
The molecular formula of 1,1,1-Trichlorooct-3-yn-2-ol is C8H11Cl3O.
What is the molecular weight of 1,1,1-Trichlorooct-3-yn-2-ol?
The molecular weight of 1,1,1-Trichlorooct-3-yn-2-ol is 227.99 g/mol.
Where can I buy 1,1,1-Trichlorooct-3-yn-2-ol?
You can request a quote for 1,1,1-Trichlorooct-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trichlorooct-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trichlorooct-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.