}met hoxy)-2,4-dichlorobenzene structure](/static/products/587/587002-73-1.png)
1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene
TL;DR: 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene (CAS 587002-73-1) is a chemical compound with molecular formula C20H18Cl2N4OS and molecular weight 432.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-[(2,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene, 3-(4-(tert-butyl)phenyl)-6-((2,4-dichlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-(2,4-dichlorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-[(2,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-[(2,4-dichlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C20H18Cl2N4OS |
|---|---|
| Molecular Weight | 432.06 g/mol |
| LogP | 6.0361 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.05783 |
| Heavy Atoms | 28 |
| Complexity | 1129.5221 |
Chemical Identifiers
| CAS Number | 587002-73-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)COC4=C(C=C(C=C4)Cl)Cl |
Product Overview
1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene (CAS 587002-73-1), with molecular formula C20H18Cl2N4OS and molecular weight 432.06 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-[(2,4-dichlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene
Property Insights of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene
The XLogP value of 6.0361 indicates that 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.31 Ų, 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene 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 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene?
The CAS number of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene is 587002-73-1.
What is the molecular formula of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene?
The molecular formula of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene is C20H18Cl2N4OS.
What is the molecular weight of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene?
The molecular weight of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene is 432.06 g/mol.
Where can I buy 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene?
You can request a quote for 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-2,4-dichlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.