2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate
TL;DR: 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate (CAS 79404-93-6) is a chemical compound with molecular formula C21H23Cl3O3 and molecular weight 428.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4,5-trichlorophenyl) 4-octoxybenzoate
Also Known As: 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate, (2,4,5-trichlorophenyl) 4-octoxybenzoate, 2,4,5-Trichlorophenyl 4-(octyloxy)benzoate, ILQVFGUXJOSAJH-UHFFFAOYSA-, 2,4,5-Trichlorophenyl p-(octyloxy)benzoate
| Molecular Formula | C21H23Cl3O3 |
|---|---|
| Molecular Weight | 428.07 g/mol |
| LogP | 8.6 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 11 |
| Exact Mass | 428.0713 |
| Heavy Atoms | 27 |
| Complexity | 427.0 |
Chemical Identifiers
| CAS Number | 79404-93-6 |
|---|---|
| SMILES | CCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC(=C(C=C2Cl)Cl)Cl |
| InChIKey | ILQVFGUXJOSAJH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate (CAS 79404-93-6), with molecular formula C21H23Cl3O3 and molecular weight 428.07 g/mol. IUPAC: (2,4,5-trichlorophenyl) 4-octoxybenzoate.
Chemical Property Profile of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate
Property Insights of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate
The XLogP value of 8.6 indicates that 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate has 0 hydrogen bond donor(s) and 3 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 4-n-Octyloxybenzoate?
The CAS number of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate is 79404-93-6.
What is the molecular formula of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate?
The molecular formula of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate is C21H23Cl3O3.
What is the molecular weight of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate?
The molecular weight of 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate is 428.07 g/mol.
Where can I buy 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate?
You can request a quote for 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate 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 4-n-Octyloxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2,4,5-Trichlorophenyl 4-n-Octyloxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.