A4049/0172687
TL;DR: A4049/0172687 (CAS 898128-89-7) is a chemical compound with molecular formula C15H9FN4S2 and molecular weight 328.03 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-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4049/0172687, (E)-6-(4-fluorostyryl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-FLUOROSTYRYL)-3-(2-THIENYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 6-[(E)-2-(4-fluorophenyl)ethenyl]-3-(thiophen-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-[(E)-2-(4-fluorophenyl)ethenyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C15H9FN4S2 |
|---|---|
| Molecular Weight | 328.03 g/mol |
| LogP | 4.2238 |
| Topological Polar Surface Area | 43.08 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 328.02527 |
| Heavy Atoms | 22 |
| Complexity | 935.9206 |
Chemical Identifiers
| CAS Number | 898128-89-7 |
|---|---|
| SMILES | C1=CSC(=C1)C2=NN=C3N2N=C(S3)/C=C/C4=CC=C(C=C4)F |
Product Overview
A4049/0172687 (CAS 898128-89-7), with molecular formula C15H9FN4S2 and molecular weight 328.03 g/mol. IUPAC: 6-[(E)-2-(4-fluorophenyl)ethenyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4049/0172687
Property Insights of A4049/0172687
The XLogP value of 4.2238 indicates that A4049/0172687 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.08 Ų, A4049/0172687 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4049/0172687 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 A4049/0172687?
The CAS number of A4049/0172687 is 898128-89-7.
What is the molecular formula of A4049/0172687?
The molecular formula of A4049/0172687 is C15H9FN4S2.
What is the molecular weight of A4049/0172687?
The molecular weight of A4049/0172687 is 328.03 g/mol.
Where can I buy A4049/0172687?
You can request a quote for A4049/0172687 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172687?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172687 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.