BAS 12534455
TL;DR: BAS 12534455 (CAS 876667-95-7) is a chemical compound with molecular formula C12H12N6OS and molecular weight 288.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 12534455, 2-methyl-5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7-ol, 2-methyl-5-(((4-methylpyrimidin-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 2-methyl-5-[(4-methylpyrimidin-2-ylthio)methyl]-4,8-dihydro-1,2,4-triazolo[1,5 -a]pyrimidin-7-one
| Molecular Formula | C12H12N6OS |
|---|---|
| Molecular Weight | 288.08 g/mol |
| LogP | 1.11674 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.0793 |
| Heavy Atoms | 20 |
| Complexity | 824.1708 |
Chemical Identifiers
| CAS Number | 876667-95-7 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)N3C(=N2)N=C(N3)C |
Product Overview
BAS 12534455 (CAS 876667-95-7), with molecular formula C12H12N6OS and molecular weight 288.08 g/mol. IUPAC: 2-methyl-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of BAS 12534455
Property Insights of BAS 12534455
The XLogP value of 1.11674 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534455. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534455. Following Lipinski's Rule of Five, BAS 12534455 has 1 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 12534455?
The CAS number of BAS 12534455 is 876667-95-7.
What is the molecular formula of BAS 12534455?
The molecular formula of BAS 12534455 is C12H12N6OS.
What is the molecular weight of BAS 12534455?
The molecular weight of BAS 12534455 is 288.08 g/mol.
Where can I buy BAS 12534455?
You can request a quote for BAS 12534455 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534455?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534455 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.