BAS 13776357
TL;DR: BAS 13776357 (CAS 887672-59-5) 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.
6-[(E)-2-pyridin-3-ylethenyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 13776357, A4031/0171809, 6-[(E)-2-pyridin-3-ylethenyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-6-(2-(pyridin-3-yl)vinyl)-3-(thiophen-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 3-[(1E)-2-[3-(THIOPHEN-2-YL)-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOL-6-YL]ETHENYL]PYRIDINE
| 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 | 887672-59-5 |
|---|---|
| SMILES | C1=CC(=CN=C1)/C=C/C2=NN3C(=NN=C3S2)C4=CC=CS4 |
Product Overview
BAS 13776357 (CAS 887672-59-5), with molecular formula C14H9N5S2 and molecular weight 311.03 g/mol. IUPAC: 6-[(E)-2-pyridin-3-ylethenyl]-3-thiophen-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 13776357
Property Insights of BAS 13776357
The XLogP value of 3.4797 indicates that BAS 13776357 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.97 Ų, BAS 13776357 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 13776357 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 BAS 13776357?
The CAS number of BAS 13776357 is 887672-59-5.
What is the molecular formula of BAS 13776357?
The molecular formula of BAS 13776357 is C14H9N5S2.
What is the molecular weight of BAS 13776357?
The molecular weight of BAS 13776357 is 311.03 g/mol.
Where can I buy BAS 13776357?
You can request a quote for BAS 13776357 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776357?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776357 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.