BAS 12534142
TL;DR: BAS 12534142 (CAS 876667-39-9) is a chemical compound with molecular formula C12H14N8OS and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one
Also Known As: BAS 12534142, 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-(((1-methyl-1H-tetrazol-5-yl)thio)methyl)-1H-pyrazol-5(4H)-one, 1-(4,6-dimethylpyrimidin-2-yl)-3-[(1-methyl(1,2,3,4-tetraazol-5-ylthio))methyl ]-2-pyrazolin-5-one, 2-(4,6-dimethylpyrimidin-2-yl)-5-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-2,4-dihydro-3H-pyrazol-3-one
| Molecular Formula | C12H14N8OS |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 0.50194 |
| Topological Polar Surface Area | 102.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.10114 |
| Heavy Atoms | 22 |
| Complexity | 735.0846 |
Chemical Identifiers
| CAS Number | 876667-39-9 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)N2C(=O)CC(=N2)CSC3=NN=NN3C)C |
Product Overview
BAS 12534142 (CAS 876667-39-9), with molecular formula C12H14N8OS and molecular weight 318.10 g/mol. IUPAC: 2-(4,6-dimethylpyrimidin-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one.
Chemical Property Profile of BAS 12534142
Property Insights of BAS 12534142
The XLogP value of 0.50194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534142. The TPSA of 102.05 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534142. Following Lipinski's Rule of Five, BAS 12534142 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 12534142?
The CAS number of BAS 12534142 is 876667-39-9.
What is the molecular formula of BAS 12534142?
The molecular formula of BAS 12534142 is C12H14N8OS.
What is the molecular weight of BAS 12534142?
The molecular weight of BAS 12534142 is 318.10 g/mol.
Where can I buy BAS 12534142?
You can request a quote for BAS 12534142 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534142?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534142 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.