BAS 14583831
TL;DR: BAS 14583831 (CAS 879052-87-6) is a chemical compound with molecular formula C16H11N7S2 and molecular weight 365.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1,3-benzothiazole
Also Known As: BAS 14583831, A4096/0174668, 2-[2-(3-pyrazin-2-yl-1,2,4-triazolo[3,4-b]1,3,4-thiadiazolin-6-yl)ethyl]benzot hiazole, 2-(2-(3-(pyrazin-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl)benzo[d]thiazole, 2-[2-(3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1,3-benzothiazole
| Molecular Formula | C16H11N7S2 |
|---|---|
| Molecular Weight | 365.05 g/mol |
| LogP | 3.0377 |
| Topological Polar Surface Area | 81.75 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 365.05173 |
| Heavy Atoms | 25 |
| Complexity | 1126.1183 |
Chemical Identifiers
| CAS Number | 879052-87-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)CCC3=NN4C(=NN=C4S3)C5=NC=CN=C5 |
Product Overview
BAS 14583831 (CAS 879052-87-6), with molecular formula C16H11N7S2 and molecular weight 365.05 g/mol. IUPAC: 2-[2-(3-pyrazin-2-yl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-1,3-benzothiazole.
Chemical Property Profile of BAS 14583831
Property Insights of BAS 14583831
The XLogP value of 3.0377 indicates that BAS 14583831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 14583831. Following Lipinski's Rule of Five, BAS 14583831 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 14583831?
The CAS number of BAS 14583831 is 879052-87-6.
What is the molecular formula of BAS 14583831?
The molecular formula of BAS 14583831 is C16H11N7S2.
What is the molecular weight of BAS 14583831?
The molecular weight of BAS 14583831 is 365.05 g/mol.
Where can I buy BAS 14583831?
You can request a quote for BAS 14583831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 14583831?
Yes, KEHONG BIO provides custom synthesis services for BAS 14583831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.