BAS 13776508
TL;DR: BAS 13776508 (CAS 887672-83-5) is a chemical compound with molecular formula C14H8N6O2S and molecular weight 324.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzodioxol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 13776508, A4064/0173188, [1,2,4]Triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-(2-pyrazinyl)-, 6-(1,3-benzodioxol-5-yl)-3-(pyrazin-2-yl)[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(1,3-benzodioxol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
| Molecular Formula | C14H8N6O2S |
|---|---|
| Molecular Weight | 324.04 g/mol |
| LogP | 2.0385 |
| Topological Polar Surface Area | 87.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.04294 |
| Heavy Atoms | 23 |
| Complexity | 1012.7197 |
Chemical Identifiers
| CAS Number | 887672-83-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN4C(=NN=C4S3)C5=NC=CN=C5 |
Product Overview
BAS 13776508 (CAS 887672-83-5), with molecular formula C14H8N6O2S and molecular weight 324.04 g/mol. IUPAC: 6-(1,3-benzodioxol-5-yl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 13776508
Property Insights of BAS 13776508
The XLogP value of 2.0385 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776508. The TPSA of 87.32 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776508. Following Lipinski's Rule of Five, BAS 13776508 has 0 hydrogen bond donor(s) and 8 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 13776508?
The CAS number of BAS 13776508 is 887672-83-5.
What is the molecular formula of BAS 13776508?
The molecular formula of BAS 13776508 is C14H8N6O2S.
What is the molecular weight of BAS 13776508?
The molecular weight of BAS 13776508 is 324.04 g/mol.
Where can I buy BAS 13776508?
You can request a quote for BAS 13776508 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776508?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776508 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.