BAS 12534448
TL;DR: BAS 12534448 (CAS 876667-92-4) is a chemical compound with molecular formula C11H10N6OS and molecular weight 274.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Also Known As: BAS 12534448, 5-{[(4-methylpyrimidin-2-yl)sulfanyl]methyl}[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-(((4-methylpyrimidin-2-yl)thio)methyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one, 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one, 5-[(4-methylpyrimidin-2-ylthio)methyl]-4,8-dihydro-1,2,4-triazolo[1,5-a]pyrimi din-7-one
| Molecular Formula | C11H10N6OS |
|---|---|
| Molecular Weight | 274.06 g/mol |
| LogP | 0.80832 |
| Topological Polar Surface Area | 88.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.0637 |
| Heavy Atoms | 19 |
| Complexity | 779.9515 |
Chemical Identifiers
| CAS Number | 876667-92-4 |
|---|---|
| SMILES | CC1=NC(=NC=C1)SCC2=CC(=O)N3C(=N2)N=CN3 |
Product Overview
BAS 12534448 (CAS 876667-92-4), with molecular formula C11H10N6OS and molecular weight 274.06 g/mol. IUPAC: 5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
Chemical Property Profile of BAS 12534448
Property Insights of BAS 12534448
The XLogP value of 0.80832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 12534448. The TPSA of 88.83 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 12534448. Following Lipinski's Rule of Five, BAS 12534448 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 12534448?
The CAS number of BAS 12534448 is 876667-92-4.
What is the molecular formula of BAS 12534448?
The molecular formula of BAS 12534448 is C11H10N6OS.
What is the molecular weight of BAS 12534448?
The molecular weight of BAS 12534448 is 274.06 g/mol.
Where can I buy BAS 12534448?
You can request a quote for BAS 12534448 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 12534448?
Yes, KEHONG BIO provides custom synthesis services for BAS 12534448 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.