2,4,5-Trichlorophenyl hexanoate
TL;DR: 2,4,5-Trichlorophenyl hexanoate (CAS 16508-93-3) is a chemical compound with molecular formula C12H13Cl3O2 and molecular weight 294.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) hexanoate
Also Known As: 2,4,5-trichlorophenyl hexanoate, (2,4,5-trichlorophenyl) hexanoate, 2,4,5-Trichlorophenol caproate, 2,4,5-TRICHLOROPHENYL CAPROATE, Hexanoic acid, 2,4,5-trichlorophenyl ester
| Molecular Formula | C12H13Cl3O2 |
|---|---|
| Molecular Weight | 294.00 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 293.9981 |
| Heavy Atoms | 17 |
| Complexity | 248.0 |
Chemical Identifiers
| CAS Number | 16508-93-3 |
|---|---|
| SMILES | CCCCCC(=O)OC1=CC(=C(C=C1Cl)Cl)Cl |
| InChIKey | BLCJVOCWIVMUCP-UHFFFAOYSA-N |
Product Overview
2,4,5-Trichlorophenyl hexanoate (CAS 16508-93-3), with molecular formula C12H13Cl3O2 and molecular weight 294.00 g/mol. IUPAC: (2,4,5-trichlorophenyl) hexanoate.
Chemical Property Profile of 2,4,5-Trichlorophenyl hexanoate
Property Insights of 2,4,5-Trichlorophenyl hexanoate
The XLogP value of 5.5 indicates that 2,4,5-Trichlorophenyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4,5-Trichlorophenyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl hexanoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4,5-Trichlorophenyl hexanoate?
The CAS number of 2,4,5-Trichlorophenyl hexanoate is 16508-93-3.
What is the molecular formula of 2,4,5-Trichlorophenyl hexanoate?
The molecular formula of 2,4,5-Trichlorophenyl hexanoate is C12H13Cl3O2.
What is the molecular weight of 2,4,5-Trichlorophenyl hexanoate?
The molecular weight of 2,4,5-Trichlorophenyl hexanoate is 294.00 g/mol.
Where can I buy 2,4,5-Trichlorophenyl hexanoate?
You can request a quote for 2,4,5-Trichlorophenyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,5-Trichlorophenyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.