A4049/0172718
TL;DR: A4049/0172718 (CAS 898128-55-7) is a chemical compound with molecular formula C14H9N5S2 and molecular weight 311.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyridin-3-yl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: A4049/0172718, 3-(3-PYRIDYL)-6-[2-(2-THIENYL)VINYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 3-pyridin-3-yl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-3-(pyridin-3-yl)-6-(2-(thiophen-2-yl)vinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-(pyridin-3-yl)-6-[(E)-2-(thiophen-2-yl)ethenyl][1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C14H9N5S2 |
|---|---|
| Molecular Weight | 311.03 g/mol |
| LogP | 3.4797 |
| Topological Polar Surface Area | 55.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.02994 |
| Heavy Atoms | 21 |
| Complexity | 890.15717 |
Chemical Identifiers
| CAS Number | 898128-55-7 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C3N2N=C(S3)/C=C/C4=CC=CS4 |
Product Overview
A4049/0172718 (CAS 898128-55-7), with molecular formula C14H9N5S2 and molecular weight 311.03 g/mol. IUPAC: 3-pyridin-3-yl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of A4049/0172718
Property Insights of A4049/0172718
The XLogP value of 3.4797 indicates that A4049/0172718 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, A4049/0172718 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, A4049/0172718 has 0 hydrogen bond donor(s) and 6 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 A4049/0172718?
The CAS number of A4049/0172718 is 898128-55-7.
What is the molecular formula of A4049/0172718?
The molecular formula of A4049/0172718 is C14H9N5S2.
What is the molecular weight of A4049/0172718?
The molecular weight of A4049/0172718 is 311.03 g/mol.
Where can I buy A4049/0172718?
You can request a quote for A4049/0172718 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A4049/0172718?
Yes, KEHONG BIO provides custom synthesis services for A4049/0172718 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.