BAS 12534537
TL;DR: BAS 12534537 (CAS 876668-07-4) is a chemical compound with molecular formula C16H13N5O2S2 and molecular weight 371.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione
Also Known As: BAS 12534537, 6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 4-hydroxy-6-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}-2-phenyl-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one, 6-(((5-methyl-1,3,4-thiadiazol-2-yl)thio)methyl)-2-phenyl-1H-pyrazolo[3,4-b]pyridine-3,4(2H,7H)-dione, 6-[(5-methyl(1,3,4-thiadiazol-2-ylthio))methyl]-2-phenyl-7-hydro-3-pyrazolino[ 3,4-b]pyridine-3,4-dione
| Molecular Formula | C16H13N5O2S2 |
|---|---|
| Molecular Weight | 371.05 g/mol |
| LogP | 2.45932 |
| Topological Polar Surface Area | 96.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.05106 |
| Heavy Atoms | 25 |
| Complexity | 1156.6986 |
Chemical Identifiers
| CAS Number | 876668-07-4 |
|---|---|
| SMILES | CC1=NN=C(S1)SCC2=CC(=O)C3=C(N2)NN(C3=O)C4=CC=CC=C4 |
Product Overview
BAS 12534537 (CAS 876668-07-4), with molecular formula C16H13N5O2S2 and molecular weight 371.05 g/mol. IUPAC: 6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-2-phenyl-1,7-dihydropyrazolo[3,4-b]pyridine-3,4-dione.
Chemical Property Profile of BAS 12534537
Property Insights of BAS 12534537
The XLogP value of 2.45932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534537. The TPSA of 96.43 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534537. Following Lipinski's Rule of Five, BAS 12534537 has 2 hydrogen bond donor(s) and 6 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 12534537?
The CAS number of BAS 12534537 is 876668-07-4.
What is the molecular formula of BAS 12534537?
The molecular formula of BAS 12534537 is C16H13N5O2S2.
What is the molecular weight of BAS 12534537?
The molecular weight of BAS 12534537 is 371.05 g/mol.
Where can I buy BAS 12534537?
You can request a quote for BAS 12534537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534537?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.