![Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate structure](/static/products/1259/125989-27-7.webp)
Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
TL;DR: Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate (CAS 125989-27-7) is a chemical compound with molecular formula C14H9Cl6N3O2 and molecular weight 460.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
Also Known As: Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate, Benzoic acid, 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-, ethyl ester, Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate #, p-[4,6-Bis[trichloromethyl]-S-triazin-2-yl]benzoic acid ethyl ester, Benzoic acid,4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]-,ethyl ester
| Molecular Formula | C14H9Cl6N3O2 |
|---|---|
| Molecular Weight | 460.88 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.8826 |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 125989-27-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | LWZPIZOSRVHWFX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate (CAS 125989-27-7), with molecular formula C14H9Cl6N3O2 and molecular weight 460.88 g/mol. IUPAC: ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate.
Chemical Property Profile of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
Property Insights of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate
The XLogP value of 5.2 indicates that Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate. Following Lipinski's Rule of Five, Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate?
The CAS number of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate is 125989-27-7.
What is the molecular formula of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate?
The molecular formula of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate is C14H9Cl6N3O2.
What is the molecular weight of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate?
The molecular weight of Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate is 460.88 g/mol.
Where can I buy Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate?
You can request a quote for Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-[4,6-bis(trichloromethyl)-1,3,5-triazin-2-yl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.