RefChem:391246
TL;DR: RefChem:391246 (CAS 4734-27-4) is a chemical compound with molecular formula C12H18N8O2S2 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2-hydroxyethyl)-5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;3-methylsulfanyl-1H-1,2,4-triazol-5-amine
Also Known As: [1,2,4]Triazolo[1,5-a]pyrimidine-6-ethanol, 7-hydroxy-5-methyl-2-(methylthio)-, compd. with 5-(methylthio)-1H-1,2,4-triazol-3-amine (1:1)|(1,2,4)Triazolo(1,5-a)pyrimidine-6-ethanol, 7-hydroxy-5-methyl-2-(methylthio)-, compd. with 5-(methylthio)-1H-1,2,4-triazol-3-amine (1:1)|6-(2-hydroxyethyl)-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1h)-one-3-(methylsulfanyl)-1h-1,2,4-triazol-5-amine(1:1)|7-Hydroxy-6-(2-hydroxyethyl)-5-methyl-2-(methylthio)-(1,2,4)triazolo(1,5-a)pyrimidine, 2-amino-5-methylthio-1H-triazole salt (1:1)|6-(2-hydroxyethyl)-5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one; 3-methylsulfanyl-1H-1,2,4-triazol-5-amine|6-(2-Hydroxyethyl)-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7(1H)-one--3-(methylsulfanyl)-1H-1,2,4-triazol-5-amine (1/1)|6-(2-Hydroxyethyl)-5-methyl-2-(methylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidin-7-ol--5-(methylsulfanyl)-4H-1,2,4-triazol-3-amine (1/1)|7-Hydroxy-5-methyl-2-(methylthio)-s-triazolo(1,5-a)pyrimidine-6-ethanol, compound with 3-amino-5-(methylthio)-s-triazole (1:1)|7-hydroxy-5-methyl-2-(methylthio)-s-triazolo[1,5-a]pyrimidine-6-ethanol, compound with 3-amino-5-(methylthio)-s-triazole (1:1)|s-Triazolo(1,5-a)pyrimidine-6-ethanol, 7-hydroxy-5-methyl-2-(methylthio)-, compd. with 3-amino-5-(methylthio)-s-triazole (1:1)|s-Triazolo[1,5-a]pyrimidine-6-ethanol, 7-hydroxy-5-methyl-2-(methylthio)-, compd. with 3-amino-5-(methylthio)-s-triazole (1:1)|EINECS 225-242-6|RefChem:391246|DTXCID9040558
| Molecular Formula | C12H18N8O2S2 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 0.09 |
| Topological Polar Surface Area | 195.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 370.09943 |
| Heavy Atoms | 24 |
| Complexity | 505.0 |
Chemical Identifiers
| CAS Number | 4734-27-4 |
|---|---|
| SMILES | CC1=C(C(=O)N2C(=N1)N=C(N2)SC)CCO.CSC1=NNC(=N1)N |
| InChIKey | GYAQCPVYDHAICQ-UHFFFAOYSA-N |
Product Overview
RefChem:391246 (CAS 4734-27-4), with molecular formula C12H18N8O2S2 and molecular weight 370.10 g/mol. IUPAC: 6-(2-hydroxyethyl)-5-methyl-2-methylsulfanyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one;3-methylsulfanyl-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of RefChem:391246
Property Insights of RefChem:391246
The XLogP value of 0.09 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:391246. The TPSA of 195.0 Ų indicates high polarity, suggesting RefChem:391246 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:391246 has 4 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 RefChem:391246?
The CAS number of RefChem:391246 is 4734-27-4.
What is the molecular formula of RefChem:391246?
The molecular formula of RefChem:391246 is C12H18N8O2S2.
What is the molecular weight of RefChem:391246?
The molecular weight of RefChem:391246 is 370.10 g/mol.
Where can I buy RefChem:391246?
You can request a quote for RefChem:391246 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:391246?
Yes, KEHONG BIO provides custom synthesis services for RefChem:391246 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.