A4102/0174912
TL;DR: A4102/0174912 (CAS 893773-32-5) is a chemical compound with molecular formula C21H12N6S2 and molecular weight 412.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole
Also Known As: A4102/0174912, 2-(2-(3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl)benzo[d]thiazole, 2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole, 2-{2-[3-(3-PYRIDYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL]PHENYL}-1,3-BENZOTHIAZOLE, 2-{2-[3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]phenyl}-1,3-benzothiazole
| Molecular Formula | C21H12N6S2 |
|---|---|
| Molecular Weight | 412.06 g/mol |
| LogP | 5.1915 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 412.0565 |
| Heavy Atoms | 29 |
| Complexity | 1431.7021 |
Chemical Identifiers
| CAS Number | 893773-32-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC3=CC=CC=C3S2)C4=NN5C(=NN=C5S4)C6=CN=CC=C6 |
Product Overview
A4102/0174912 (CAS 893773-32-5), with molecular formula C21H12N6S2 and molecular weight 412.06 g/mol. IUPAC: 2-[2-(3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]-1,3-benzothiazole.
Chemical Property Profile of A4102/0174912
Property Insights of A4102/0174912
The XLogP value of 5.1915 indicates that A4102/0174912 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.86 Ų falls within the moderate polarity range, balancing permeability and solubility for A4102/0174912. Following Lipinski's Rule of Five, A4102/0174912 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 A4102/0174912?
The CAS number of A4102/0174912 is 893773-32-5.
What is the molecular formula of A4102/0174912?
The molecular formula of A4102/0174912 is C21H12N6S2.
What is the molecular weight of A4102/0174912?
The molecular weight of A4102/0174912 is 412.06 g/mol.
Where can I buy A4102/0174912?
You can request a quote for A4102/0174912 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4102/0174912?
Yes, KEHONG BIO provides custom synthesis services for A4102/0174912 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.