BAS 13776507
TL;DR: BAS 13776507 (CAS 878441-83-9) is a chemical compound with molecular formula C15H12N6OS and molecular weight 324.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
Also Known As: BAS 13776507, A4049/0172720, 6-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-Methoxy-benzyl)-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole, 6-(4-METHOXYBENZYL)-3-(2-PYRAZINYL)[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZOLE
| Molecular Formula | C15H12N6OS |
|---|---|
| Molecular Weight | 324.08 g/mol |
| LogP | 2.2422 |
| Topological Polar Surface Area | 78.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 324.0793 |
| Heavy Atoms | 23 |
| Complexity | 931.68286 |
Chemical Identifiers
| CAS Number | 878441-83-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CC2=NN3C(=NN=C3S2)C4=NC=CN=C4 |
Product Overview
BAS 13776507 (CAS 878441-83-9), with molecular formula C15H12N6OS and molecular weight 324.08 g/mol. IUPAC: 6-[(4-methoxyphenyl)methyl]-3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
Chemical Property Profile of BAS 13776507
Property Insights of BAS 13776507
The XLogP value of 2.2422 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 13776507. The TPSA of 78.09 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 13776507. Following Lipinski's Rule of Five, BAS 13776507 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 13776507?
The CAS number of BAS 13776507 is 878441-83-9.
What is the molecular formula of BAS 13776507?
The molecular formula of BAS 13776507 is C15H12N6OS.
What is the molecular weight of BAS 13776507?
The molecular weight of BAS 13776507 is 324.08 g/mol.
Where can I buy BAS 13776507?
You can request a quote for BAS 13776507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 13776507?
Yes, KEHONG BIO provides custom synthesis services for BAS 13776507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.