2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate
TL;DR: 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate (CAS 88968-95-0) is a chemical compound with molecular formula C8H11Cl3O3 and molecular weight 259.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,2-trichloroethyl (E)-5-hydroxy-3-methylpent-2-enoate
Also Known As: 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate, 2,2,2-trichloroethyl (E)-5-hydroxy-3-methylpent-2-enoate
| Molecular Formula | C8H11Cl3O3 |
|---|---|
| Molecular Weight | 259.98 g/mol |
| LogP | 2.2285 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.9774 |
| Heavy Atoms | 14 |
| Complexity | 220.36162 |
Chemical Identifiers
| CAS Number | 88968-95-0 |
|---|---|
| SMILES | C/C(=C\C(=O)OCC(Cl)(Cl)Cl)/CCO |
Product Overview
2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate (CAS 88968-95-0), with molecular formula C8H11Cl3O3 and molecular weight 259.98 g/mol. IUPAC: 2,2,2-trichloroethyl (E)-5-hydroxy-3-methylpent-2-enoate.
Chemical Property Profile of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate
Property Insights of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate
The XLogP value of 2.2285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate. With a topological polar surface area (TPSA) of 46.53 Ų, 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate has 1 hydrogen bond donor(s) and 3 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-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate?
The CAS number of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate is 88968-95-0.
What is the molecular formula of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate?
The molecular formula of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate is C8H11Cl3O3.
What is the molecular weight of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate?
The molecular weight of 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate is 259.98 g/mol.
Where can I buy 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate?
You can request a quote for 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate 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-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,2-trichloroethyl (E)-5-hydroxy-3-methyl-pent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.