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(4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine
TL;DR: (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine (CAS 841206-67-5) is a chemical compound with molecular formula C23H27N5S and molecular weight 405.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
Also Known As: (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine, 4-(3-(4-(tert-butyl)phenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N,N-diethylaniline, 4-[3-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline, 4-[3-(4-tert-butylphenyl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline
| Molecular Formula | C23H27N5S |
|---|---|
| Molecular Weight | 405.20 g/mol |
| LogP | 5.6635 |
| Topological Polar Surface Area | 46.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 405.19873 |
| Heavy Atoms | 29 |
| Complexity | 1097.0895 |
Chemical Identifiers
| CAS Number | 841206-67-5 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)C2=NN3C(=NN=C3S2)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
(4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine (CAS 841206-67-5), with molecular formula C23H27N5S and molecular weight 405.20 g/mol. IUPAC: 4-[3-(4-tert-butylphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]-N,N-diethylaniline.
Chemical Property Profile of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine
Property Insights of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine
The XLogP value of 5.6635 indicates that (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.32 Ų, (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine 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 (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine?
The CAS number of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine is 841206-67-5.
What is the molecular formula of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine?
The molecular formula of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine is C23H27N5S.
What is the molecular weight of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine?
The molecular weight of (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine is 405.20 g/mol.
Where can I buy (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine?
You can request a quote for (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine?
Yes, KEHONG BIO provides custom synthesis services for (4-{3-[4-(tert-butyl)phenyl](1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)}phe nyl)diethylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.