![Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- structure](/static/products/5634/56347-19-4.webp)
Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-
TL;DR: Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- (CAS 56347-19-4) is a chemical compound with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid
Also Known As: CBKinase1_011964, CBKinase1_024364, N-methyl-N-chloroacetyl-DL-valine, 2-((5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio)acetic acid, Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-
| Molecular Formula | C9H10N4O2S |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 238.05244 |
| Heavy Atoms | 16 |
| Complexity | 278.0 |
Chemical Identifiers
| CAS Number | 56347-19-4 |
|---|---|
| SMILES | CC1=CC(=NC2=NC(=NN12)SCC(=O)O)C |
| InChIKey | KWDFOBJTWSSECN-UHFFFAOYSA-N |
Product Overview
Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- (CAS 56347-19-4), with molecular formula C9H10N4O2S and molecular weight 238.05 g/mol. IUPAC: 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]acetic acid.
Chemical Property Profile of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-
Property Insights of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-. Following Lipinski's Rule of Five, Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- 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 Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-?
The CAS number of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- is 56347-19-4.
What is the molecular formula of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-?
The molecular formula of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- is C9H10N4O2S.
What is the molecular weight of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-?
The molecular weight of Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- is 238.05 g/mol.
Where can I buy Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-?
You can request a quote for Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]-?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, [(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)thio]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.