Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
TL;DR: Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate (CAS 30863-22-0) is a chemical compound with molecular formula C8H5Cl6N3O2 and molecular weight 384.85 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
Also Known As: ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate, J1.615.179C, ETHYL 4,6-BIS(TRICHLOROMETHYL)-S-TRIAZINE-2-CAR*, 4,6-Bis(trichloromethyl)-s-triazine-2-carboxylic acid ethyl ester
| Molecular Formula | C8H5Cl6N3O2 |
|---|---|
| Molecular Weight | 384.85 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 386.84833 |
| Heavy Atoms | 19 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 30863-22-0 |
|---|---|
| SMILES | CCOC(=O)C1=NC(=NC(=N1)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl |
| InChIKey | HKGLNEXDSSLWOA-UHFFFAOYSA-N |
Product Overview
Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate (CAS 30863-22-0), with molecular formula C8H5Cl6N3O2 and molecular weight 384.85 g/mol. IUPAC: ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate.
Chemical Property Profile of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
Property Insights of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate
The XLogP value of 3.8 indicates that Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate 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 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate. Following Lipinski's Rule of Five, Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate?
The CAS number of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate is 30863-22-0.
What is the molecular formula of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate?
The molecular formula of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate is C8H5Cl6N3O2.
What is the molecular weight of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate?
The molecular weight of Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate is 384.85 g/mol.
Where can I buy Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate?
You can request a quote for Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,6-bis(trichloromethyl)-1,3,5-triazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.