BAS 12534538
TL;DR: BAS 12534538 (CAS 876668-08-5) is a chemical compound with molecular formula C20H14N4O2S2 and molecular weight 406.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Also Known As: BAS 12534538, BRD-K31146398-001-01-7, 6-[(1,3-benzothiazol-2-ylsulfanyl)methyl]-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 6-(benzothiazol-2-ylthiomethyl)-2-phenyl-7-hydro-3-pyrazolino[3,4-b]pyridine-3 ,4-dione, 6-((benzo[d]thiazol-2-ylthio)methyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione
| Molecular Formula | C20H14N4O2S2 |
|---|---|
| Molecular Weight | 406.06 g/mol |
| LogP | 3.9091 |
| Topological Polar Surface Area | 83.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.05582 |
| Heavy Atoms | 28 |
| Complexity | 1380.2283 |
Chemical Identifiers
| CAS Number | 876668-08-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=O)C3=C(N2)NC(=CC3=O)CSC4=NC5=CC=CC=C5S4 |
Product Overview
BAS 12534538 (CAS 876668-08-5), with molecular formula C20H14N4O2S2 and molecular weight 406.06 g/mol. IUPAC: 6-(1,3-benzothiazol-2-ylsulfanylmethyl)-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
Chemical Property Profile of BAS 12534538
Property Insights of BAS 12534538
The XLogP value of 3.9091 indicates that BAS 12534538 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.54 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534538. Following Lipinski's Rule of Five, BAS 12534538 has 2 hydrogen bond donor(s) and 5 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 12534538?
The CAS number of BAS 12534538 is 876668-08-5.
What is the molecular formula of BAS 12534538?
The molecular formula of BAS 12534538 is C20H14N4O2S2.
What is the molecular weight of BAS 12534538?
The molecular weight of BAS 12534538 is 406.06 g/mol.
Where can I buy BAS 12534538?
You can request a quote for BAS 12534538 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534538?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534538 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.