2,4,6-Trichlorophenyl acetoacetate
TL;DR: 2,4,6-Trichlorophenyl acetoacetate (CAS 59225-85-3) is a chemical compound with molecular formula C10H7Cl3O3 and molecular weight 279.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,6-trichlorophenyl) 3-oxobutanoate
Also Known As: 2,4,6-Trichlorophenyl acetoacetate, (2,4,6-trichlorophenyl) 3-oxobutanoate, 2,4,6-trichlorophenyl 3-oxobutanoate, 2,4,6-TRICHLOROPHENYLACETOACETATE, Acetoacetic acid 2,4,6-trichlorophenyl ester
| Molecular Formula | C10H7Cl3O3 |
|---|---|
| Molecular Weight | 279.95 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 279.94608 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 59225-85-3 |
|---|---|
| SMILES | CC(=O)CC(=O)OC1=C(C=C(C=C1Cl)Cl)Cl |
| InChIKey | SFXGTKMFWDFCLU-UHFFFAOYSA-N |
Product Overview
2,4,6-Trichlorophenyl acetoacetate (CAS 59225-85-3), with molecular formula C10H7Cl3O3 and molecular weight 279.95 g/mol. IUPAC: (2,4,6-trichlorophenyl) 3-oxobutanoate.
Chemical Property Profile of 2,4,6-Trichlorophenyl acetoacetate
Property Insights of 2,4,6-Trichlorophenyl acetoacetate
The XLogP value of 3.4 indicates that 2,4,6-Trichlorophenyl acetoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 2,4,6-Trichlorophenyl acetoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Trichlorophenyl acetoacetate has 0 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 2,4,6-Trichlorophenyl acetoacetate?
The CAS number of 2,4,6-Trichlorophenyl acetoacetate is 59225-85-3.
What is the molecular formula of 2,4,6-Trichlorophenyl acetoacetate?
The molecular formula of 2,4,6-Trichlorophenyl acetoacetate is C10H7Cl3O3.
What is the molecular weight of 2,4,6-Trichlorophenyl acetoacetate?
The molecular weight of 2,4,6-Trichlorophenyl acetoacetate is 279.95 g/mol.
Where can I buy 2,4,6-Trichlorophenyl acetoacetate?
You can request a quote for 2,4,6-Trichlorophenyl acetoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trichlorophenyl acetoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trichlorophenyl acetoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.