A4089/0174311
TL;DR: A4089/0174311 (CAS 893771-80-7) is a chemical compound with molecular formula C20H11N5S3 and molecular weight 417.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole
Also Known As: A4089/0174311, 2-(2-(3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)benzo[d]thiazole, 2-[2-(3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole, 2-{2-[3-(2-THIENYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL]PHENYL}-1,3-BENZOTHIAZOLE, 2-{2-[3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole
| Molecular Formula | C20H11N5S3 |
|---|---|
| Molecular Weight | 417.02 g/mol |
| LogP | 5.858 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 417.01767 |
| Heavy Atoms | 28 |
| Complexity | 1391.9408 |
Chemical Identifiers
| CAS Number | 893771-80-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C4=NN5C(=NN=C5S4)C6=CC=CS6 |
Product Overview
A4089/0174311 (CAS 893771-80-7), with molecular formula C20H11N5S3 and molecular weight 417.02 g/mol. IUPAC: 2-[2-(3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole.
Chemical Property Profile of A4089/0174311
Property Insights of A4089/0174311
The XLogP value of 5.858 indicates that A4089/0174311 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A4089/0174311 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4089/0174311 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 A4089/0174311?
The CAS number of A4089/0174311 is 893771-80-7.
What is the molecular formula of A4089/0174311?
The molecular formula of A4089/0174311 is C20H11N5S3.
What is the molecular weight of A4089/0174311?
The molecular weight of A4089/0174311 is 417.02 g/mol.
Where can I buy A4089/0174311?
You can request a quote for A4089/0174311 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4089/0174311?
Yes, KEHONG BIO provides custom synthesis services for A4089/0174311 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.