BAS 13776511
TL;DR: BAS 13776511 (CAS 887672-84-6) is a chemical compound with molecular formula C13H8N6S2 and molecular weight 312.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-pyrazin-2-yl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 13776511, A4049/0172723, 3-(2-PYRAZINYL)-6-[2-(2-THIENYL)VINYL][1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE, 3-pyrazin-2-yl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, (E)-3-(pyrazin-2-yl)-6-(2-(thiophen-2-yl)vinyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C13H8N6S2 |
|---|---|
| Molecular Weight | 312.03 g/mol |
| LogP | 2.8747 |
| Topological Polar Surface Area | 68.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 312.02518 |
| Heavy Atoms | 21 |
| Complexity | 891.4543 |
Chemical Identifiers
| CAS Number | 887672-84-6 |
|---|---|
| SMILES | C1=CSC(=C1)/C=C/C2=NN3C(=NN=C3S2)C4=NC=CN=C4 |
Product Overview
BAS 13776511 (CAS 887672-84-6), with molecular formula C13H8N6S2 and molecular weight 312.03 g/mol. IUPAC: 3-pyrazin-2-yl-6-[(E)-2-thiophen-2-ylethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 13776511
Property Insights of BAS 13776511
The XLogP value of 2.8747 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776511. The TPSA of 68.86 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776511. Following Lipinski's Rule of Five, BAS 13776511 has 0 hydrogen bond donor(s) and 7 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 13776511?
The CAS number of BAS 13776511 is 887672-84-6.
What is the molecular formula of BAS 13776511?
The molecular formula of BAS 13776511 is C13H8N6S2.
What is the molecular weight of BAS 13776511?
The molecular weight of BAS 13776511 is 312.03 g/mol.
Where can I buy BAS 13776511?
You can request a quote for BAS 13776511 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776511?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776511 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.