![3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine structure](/static/products/6998/6998-68-1.webp)
3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine
TL;DR: 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine (CAS 6998-68-1) is a chemical compound with molecular formula C18H12Cl2F2N4O2S and molecular weight 456.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine
Also Known As: 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine
| Molecular Formula | C18H12Cl2F2N4O2S |
|---|---|
| Molecular Weight | 456.00 g/mol |
| LogP | 5.1098 |
| Topological Polar Surface Area | 58.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 456.0026 |
| Heavy Atoms | 29 |
| Complexity | 1015.4207 |
Chemical Identifiers
| CAS Number | 6998-68-1 |
|---|---|
| SMILES | C1C(=NN2C(=NSC2=N1)COC3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)OC(F)F |
Product Overview
3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine (CAS 6998-68-1), with molecular formula C18H12Cl2F2N4O2S and molecular weight 456.00 g/mol. IUPAC: 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine.
Chemical Property Profile of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine
Property Insights of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine
The XLogP value of 5.1098 indicates that 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.78 Ų, 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine?
The CAS number of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine is 6998-68-1.
What is the molecular formula of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine?
The molecular formula of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine is C18H12Cl2F2N4O2S.
What is the molecular weight of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine?
The molecular weight of 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine is 456.00 g/mol.
Where can I buy 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine?
You can request a quote for 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2,4-dichlorophenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]thiadiazolo[4,5-b][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.