A4089/0174306
TL;DR: A4089/0174306 (CAS 853891-64-2) is a chemical compound with molecular formula C16H10FN5S and molecular weight 323.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-2-(4-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4089/0174306, 6-[(E)-2-(4-fluorophenyl)ethenyl]-3-(pyridin-3-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(E)-2-(4-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-6-(4-fluorostyryl)-3-(pyridin-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C16H10FN5S |
|---|---|
| Molecular Weight | 323.06 g/mol |
| LogP | 3.5573 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 323.0641 |
| Heavy Atoms | 23 |
| Complexity | 972.8141 |
Chemical Identifiers
| CAS Number | 853891-64-2 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)/C=C/C4=CC=C(C=C4)F |
Product Overview
A4089/0174306 (CAS 853891-64-2), with molecular formula C16H10FN5S and molecular weight 323.06 g/mol. IUPAC: 6-[(E)-2-(4-fluorophenyl)ethenyl]-3-pyridin-3-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4089/0174306
Property Insights of A4089/0174306
The XLogP value of 3.5573 indicates that A4089/0174306 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A4089/0174306 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4089/0174306 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of A4089/0174306?
The CAS number of A4089/0174306 is 853891-64-2.
What is the molecular formula of A4089/0174306?
The molecular formula of A4089/0174306 is C16H10FN5S.
What is the molecular weight of A4089/0174306?
The molecular weight of A4089/0174306 is 323.06 g/mol.
Where can I buy A4089/0174306?
You can request a quote for A4089/0174306 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4089/0174306?
Yes, KEHONG BIO provides custom synthesis services for A4089/0174306 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.