}met hoxy)-4-chlorobenzene structure](/static/products/850/850192-52-8.png)
1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-4-chlorobenzene
TL;DR: 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-4-chlorobenzene (CAS 850192-52-8) is a chemical compound with molecular formula C20H19ClN4OS and molecular weight 398.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-6-[(4-chlorophenoxy)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)-4-chlorobenzene, 3-(4-(tert-butyl)phenyl)-6-((4-chlorophenoxy)methyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-(4-chlorophenoxymethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(4-tert-butylphenyl)-6-[(4-chlorophenoxy)methyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C20H19ClN4OS |
|---|---|
| Molecular Weight | 398.10 g/mol |
| LogP | 5.3827 |
| Topological Polar Surface Area | 52.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 398.0968 |
| Heavy Atoms | 27 |
| Complexity | 1062.2565 |
Chemical Identifiers
| CAS Number | 850192-52-8 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NN=C3N2N=C(S3)COC4=CC=C(C=C4)Cl |
Product Overview
1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-4-chlorobenzene (CAS 850192-52-8), with molecular formula C20H19ClN4OS and molecular weight 398.10 g/mol. IUPAC: 3-(4-tert-butylphenyl)-6-[(4-chlorophenoxy)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)-4-chlorobenzene
Property Insights of 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-4-chlorobenzene
The XLogP value of 5.3827 indicates that 1-({3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}met hoxy)-4-chlorobenzene 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)-4-chlorobenzene 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)-4-chlorobenzene 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)-4-chlorobenzene?
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)-4-chlorobenzene is 850192-52-8.
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)-4-chlorobenzene?
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)-4-chlorobenzene is C20H19ClN4OS.
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)-4-chlorobenzene?
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)-4-chlorobenzene is 398.10 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)-4-chlorobenzene?
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)-4-chlorobenzene 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)-4-chlorobenzene?
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)-4-chlorobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.